N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide

C164H187N27O17S7 — CID 158502484

IUPACN-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide
SMILESCCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1.CCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CNc3ncccn3)cc2)cc1.CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1.CN(Cc1ccccc1)S(=O)(=O)c1ccc(CNCc2ncc[nH]2)cc1.O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N(Cc1ccccc1)CC1CC1.O=S(=O)(c1ccc(CNCc2cccnc2)cc1)N(Cc1ccccc1)Cc1ccccc1.O=S(=O)(c1ccc(CNCc2ccncc2)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/2C27H27N3O2S.C24H27N3O2S.C23H26N6O2S.C23H29N5O3S.C21H29N3O4S.C19H22N4O2S/c31-33(32,27-15-13-23(14-16-27)18-29-20-26-12-7-17-28-19-26)30(21-24-8-3-1-4-9-24)22-25-10-5-2-6-11-25;31-33(32,27-13-11-23(12-14-27)19-29-20-24-15-17-28-18-16-24)30(21-25-7-3-1-4-8-25)22-26-9-5-2-6-10-26;28-30(29,27(19-22-9-10-22)18-21-6-2-1-3-7-21)24-13-11-20(12-14-24)16-25-17-23-8-4-5-15-26-23;1-28(15-19-5-3-2-4-6-19)32(30,31)21-9-7-20(8-10-21)16-29(17-22-24-11-12-25-22)18-23-26-13-14-27-23;1-3-28(4-2)16-17-31-21-10-8-20(9-11-21)27-32(29,30)22-12-6-19(7-13-22)18-26-23-24-14-5-15-25-23;1-4-24(5-2)14-15-28-20-10-8-19(9-11-20)23-29(26,27)21-12-6-18(7-13-21)16-22-17(3)25;1-23(15-17-5-3-2-4-6-17)26(24,25)18-9-7-16(8-10-18)13-20-14-19-21-11-12-22-19/h1-17,19,29H,18,20-22H2;1-18,29H,19-22H2;1-8,11-15,22,25H,9-10,16-19H2;2-14H,15-18H2,1H3,(H,24,25)(H,26,27);5-15,27H,3-4,16-18H2,1-2H3,(H,24,25,26);6-13,23H,4-5,14-16H2,1-3H3,(H,22,25);2-12,20H,13-15H2,1H3,(H,21,22)
InChIKeyHKBGNSQQZJTUFD-UHFFFAOYSA-N
MW3032.94 g/mol
LogP25.63
Rot. Bonds71

About N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide

N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide (PubChem CID 158502484) has the molecular formula C164H187N27O17S7 and a molecular weight of 3032.94 g/mol. Its IUPAC name is N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide
PubChem CID158502484
Molecular FormulaC164H187N27O17S7
Molecular Weight3032.94 g/mol
Exact Mass3030.26
IUPAC NameN-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide
SMILESCCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1.CCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CNc3ncccn3)cc2)cc1.CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1.CN(Cc1ccccc1)S(=O)(=O)c1ccc(CNCc2ncc[nH]2)cc1.O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N(Cc1ccccc1)CC1CC1.O=S(=O)(c1ccc(CNCc2cccnc2)cc1)N(Cc1ccccc1)Cc1ccccc1.O=S(=O)(c1ccc(CNCc2ccncc2)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/2C27H27N3O2S.C24H27N3O2S.C23H26N6O2S.C23H29N5O3S.C21H29N3O4S.C19H22N4O2S/c31-33(32,27-15-13-23(14-16-27)18-29-20-26-12-7-17-28-19-26)30(21-24-8-3-1-4-9-24)22-25-10-5-2-6-11-25;31-33(32,27-13-11-23(12-14-27)19-29-20-24-15-17-28-18-16-24)30(21-25-7-3-1-4-8-25)22-26-9-5-2-6-10-26;28-30(29,27(19-22-9-10-22)18-21-6-2-1-3-7-21)24-13-11-20(12-14-24)16-25-17-23-8-4-5-15-26-23;1-28(15-19-5-3-2-4-6-19)32(30,31)21-9-7-20(8-10-21)16-29(17-22-24-11-12-25-22)18-23-26-13-14-27-23;1-3-28(4-2)16-17-31-21-10-8-20(9-11-21)27-32(29,30)22-12-6-19(7-13-22)18-26-23-24-14-5-15-25-23;1-4-24(5-2)14-15-28-20-10-8-19(9-11-20)23-29(26,27)21-12-6-18(7-13-21)16-22-17(3)25;1-23(15-17-5-3-2-4-6-17)26(24,25)18-9-7-16(8-10-18)13-20-14-19-21-11-12-22-19/h1-17,19,29H,18,20-22H2;1-18,29H,19-22H2;1-8,11-15,22,25H,9-10,16-19H2;2-14H,15-18H2,1H3,(H,24,25)(H,26,27);5-15,27H,3-4,16-18H2,1-2H3,(H,24,25,26);6-13,23H,4-5,14-16H2,1-3H3,(H,22,25);2-12,20H,13-15H2,1H3,(H,21,22)
InChIKeyHKBGNSQQZJTUFD-UHFFFAOYSA-N
XLogP25.63
TPSA547.16 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds71
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003032.94
LogP ≤ 525.63
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Analyze N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide with MolForge

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Related Compounds

3-[[5-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]-N-tert-butylbenzenesulfonamide;N-tert-butyl-3-[[5-ethyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[methyl-[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]pyrimidin-4-yl]amino]benzenesulfonamide;N-ethyl-3-[[5-methyl-2-[N-methyl-4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;methane
CID 157835821
12-(Benzenesulfonyl)-8-(4-phenoxyphenyl)-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-6-amine;methane;8-(4-phenoxyphenyl)-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-6-amine
CID 158677254
(2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CID 158752407
1-[2-[(13,13-Dioxo-13lambda6-thia-2,4,8,12,19-pentazatricyclo[12.3.1.13,7]nonadeca-1(18),3,5,7(19),14,16-hexaen-6-yl)amino]ethyl]-3-(4-methoxyphenyl)urea;1-[2-[(13,13-dioxo-13lambda6-thia-2,4,8,12,19-pentazatricyclo[12.3.1.13,7]nonadeca-1(18),3,5,7(19),14,16-hexaen-6-yl)amino]ethyl]-3-(4-methylphenyl)urea;1-[2-[(13,13-dioxo-13lambda6-thia-2,4,8,12,19-pentazatricyclo[12.3.1.13,7]nonadeca-1(18),3,5,7(19),14,16-hexaen-6-yl)oxy]ethyl]-3-pyridin-3-ylurea
CID 159125681
N-benzyl-4-[[4-[benzyl(methyl)sulfamoyl]phenyl]methyl]piperazine-1-carboxamide;N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N-benzyl-N-methyl-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;4-[[4-[benzyl(methyl)sulfamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)piperazine-1-carboxamide;N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperazin-1-ylmethyl)benzenesulfonamide
CID 159399547

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide (CID 158502484) is N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide is CCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1.CCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CNc3ncccn3)cc2)cc1.CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1.CN(Cc1ccccc1)S(=O)(=O)c1ccc(CNCc2ncc[nH]2)cc1.O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N(Cc1ccccc1)CC1CC1.O=S(=O)(c1ccc(CNCc2cccnc2)cc1)N(Cc1ccccc1)Cc1ccccc1.O=S(=O)(c1ccc(CNCc2ccncc2)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide?
The InChIKey is HKBGNSQQZJTUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H27N3O2S.C24H27N3O2S.C23H26N6O2S.C23H29N5O3S.C21H29N3O4S.C19H22N4O2S/c31-33(32,27-15-13-23(14-16-27)18-29-20-26-12-7-17-28-19-26)30(21-24-8-3-1-4-9-24)22-25-10-5-2-6-11-25;31-33(32,27-13-11-23(12-14-27)19-29-20-24-15-17-28-18-16-24)30(21-25-7-3-1-4-8-25)22-26-9-5-2-6-10-26;28-30(29,27(19-22-9-10-22)18-21-6-2-1-3-7-21)24-13-11-20(12-14-24)16-25-17-23-8-4-5-15-26-23;1-28(15-19-5-3-2-4-6-19)32(30,31)21-9-7-20(8-10-21)16-29(17-22-24-11-12-25-22)18-23-26-13-14-27-23;1-3-28(4-2)16-17-31-21-10-8-20(9-11-21)27-32(29,30)22-12-6-19(7-13-22)18-26-23-24-14-5-15-25-23;1-4-24(5-2)14-15-28-20-10-8-19(9-11-20)23-29(26,27)21-12-6-18(7-13-21)16-22-17(3)25;1-23(15-17-5-3-2-4-6-17)26(24,25)18-9-7-16(8-10-18)13-20-14-19-21-11-12-22-19/h1-17,19,29H,18,20-22H2;1-18,29H,19-22H2;1-8,11-15,22,25H,9-10,16-19H2;2-14H,15-18H2,1H3,(H,24,25)(H,26,27);5-15,27H,3-4,16-18H2,1-2H3,(H,24,25,26);6-13,23H,4-5,14-16H2,1-3H3,(H,22,25);2-12,20H,13-15H2,1H3,(H,21,22).
What are the key properties of N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide?
N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide has a molecular weight of 3032.94 g/mol, XLogP of 25.63, 71 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide;N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;N-benzyl-4-[(1H-imidazol-2-ylmethylamino)methyl]-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(pyridin-4-ylmethylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[(pyrimidin-2-ylamino)methyl]benzenesulfonamide;N-[[4-[[4-[2-(diethylamino)ethoxy]phenyl]sulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 158502484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).