benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate

C68H96ClN11O11S3 — CID 159469554

IUPACbenzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate
SMILESCC1(N)CCN(C(=O)OC(C)(C)C)CC1.CC1(NS(=O)(=O)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1.CN1CCC(N(C)C(=O)c2ccc(Cc3nc4c(N5CCC(C)(N(C)S(=O)(=O)c6ccccc6)CC5)cccn4n3)cc2)CC1.O=S(=O)(Cl)c1ccccc1
InChIInChI=1S/C34H43N7O3S.C17H26N2O4S.C11H22N2O2.C6H5ClO2S/c1-34(39(4)45(43,44)29-9-6-5-7-10-29)18-23-40(24-19-34)30-11-8-20-41-32(30)35-31(36-41)25-26-12-14-27(15-13-26)33(42)38(3)28-16-21-37(2)22-17-28;1-16(2,3)23-15(20)19-12-10-17(4,11-13-19)18-24(21,22)14-8-6-5-7-9-14;1-10(2,3)15-9(14)13-7-5-11(4,12)6-8-13;7-10(8,9)6-4-2-1-3-5-6/h5-15,20,28H,16-19,21-25H2,1-4H3;5-9,18H,10-13H2,1-4H3;5-8,12H2,1-4H3;1-5H
InChIKeyLVPYLPAWCBXRIT-UHFFFAOYSA-N
MW1375.24 g/mol
LogP10.27
Rot. Bonds12

About benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate

benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate (PubChem CID 159469554) has the molecular formula C68H96ClN11O11S3 and a molecular weight of 1375.24 g/mol. Its IUPAC name is benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate
PubChem CID159469554
Molecular FormulaC68H96ClN11O11S3
Molecular Weight1375.24 g/mol
Exact Mass1373.61
IUPAC Namebenzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate
SMILESCC1(N)CCN(C(=O)OC(C)(C)C)CC1.CC1(NS(=O)(=O)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1.CN1CCC(N(C)C(=O)c2ccc(Cc3nc4c(N5CCC(C)(N(C)S(=O)(=O)c6ccccc6)CC5)cccn4n3)cc2)CC1.O=S(=O)(Cl)c1ccccc1
InChIInChI=1S/C34H43N7O3S.C17H26N2O4S.C11H22N2O2.C6H5ClO2S/c1-34(39(4)45(43,44)29-9-6-5-7-10-29)18-23-40(24-19-34)30-11-8-20-41-32(30)35-31(36-41)25-26-12-14-27(15-13-26)33(42)38(3)28-16-21-37(2)22-17-28;1-16(2,3)23-15(20)19-12-10-17(4,11-13-19)18-24(21,22)14-8-6-5-7-9-14;1-10(2,3)15-9(14)13-7-5-11(4,12)6-8-13;7-10(8,9)6-4-2-1-3-5-6/h5-15,20,28H,16-19,21-25H2,1-4H3;5-9,18H,10-13H2,1-4H3;5-8,12H2,1-4H3;1-5H
InChIKeyLVPYLPAWCBXRIT-UHFFFAOYSA-N
XLogP10.27
TPSA259.77 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001375.24
LogP ≤ 510.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate with MolForge

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Related Compounds

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(4-chlorophenyl)-4-(isocyanomethyl)piperidine-1-carboxylate;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;ethyl 2-[4-(4-chlorophenyl)-1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]acetate
CID 157064672
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-isocyano-4-(4-methylsulfanylphenyl)piperidine-1-carboxylate;4-[[8-[4-(hydroxymethyl)-4-(4-methylsulfanylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-(isocyanomethyl)-4-methylsulfanylbenzene;methane;[1-(4-methylsulfanylphenyl)cyclohexyl]methanol
CID 159984141
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 160771095
tert-butyl 3-[benzenesulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]piperidine-1-carboxylate
CID 10184810
2,2,2-trifluoroethyl 4-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121434766
tert-butyl 4-[cyclopropyl-[4-[4-(methylsulfamoyl)phenyl]benzoyl]amino]piperidine-1-carboxylate
CID 118300931
tert-butyl 4-[[methyl-[4-(phenylsulfamoyl)benzoyl]amino]methyl]piperidine-1-carboxylate
CID 118720901
tert-butyl 4-methyl-4-[[2-(4-methylsulfonylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 141491131
tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate
CID 20664724
tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate
CID 170993454
tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate
CID 118300930
tert-butyl 4-[[[2-[methyl-[4-[phenoxy(phenyl)sulfamoyl]benzoyl]amino]acetyl]amino]methyl]piperidine-1-carboxylate
CID 87472046

Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate?
The IUPAC name of benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate (CID 159469554) is benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate is CC1(N)CCN(C(=O)OC(C)(C)C)CC1.CC1(NS(=O)(=O)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1.CN1CCC(N(C)C(=O)c2ccc(Cc3nc4c(N5CCC(C)(N(C)S(=O)(=O)c6ccccc6)CC5)cccn4n3)cc2)CC1.O=S(=O)(Cl)c1ccccc1.
What is the InChIKey of benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate?
The InChIKey is LVPYLPAWCBXRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N7O3S.C17H26N2O4S.C11H22N2O2.C6H5ClO2S/c1-34(39(4)45(43,44)29-9-6-5-7-10-29)18-23-40(24-19-34)30-11-8-20-41-32(30)35-31(36-41)25-26-12-14-27(15-13-26)33(42)38(3)28-16-21-37(2)22-17-28;1-16(2,3)23-15(20)19-12-10-17(4,11-13-19)18-24(21,22)14-8-6-5-7-9-14;1-10(2,3)15-9(14)13-7-5-11(4,12)6-8-13;7-10(8,9)6-4-2-1-3-5-6/h5-15,20,28H,16-19,21-25H2,1-4H3;5-9,18H,10-13H2,1-4H3;5-8,12H2,1-4H3;1-5H.
What are the key properties of benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate?
benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate has a molecular weight of 1375.24 g/mol, XLogP of 10.27, 12 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyl chloride;4-[[8-[4-[benzenesulfonyl(methyl)amino]-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-amino-4-methylpiperidine-1-carboxylate;tert-butyl 4-(benzenesulfonamido)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 159469554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).