bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C122H155N43O12S6 — CID 158048003

IUPACbis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCC1CCC(CCc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.CC1CCC(CCc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.CC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.CCC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.CCC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.Nc1ccc(-c2ccc(CC3CCNCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/4C21H27N7O2S.C20H25N7O2S.C18H22N8O2S/c2*1-13-2-4-14(5-3-13)6-7-15-8-10-17(16-9-11-18(22)24-12-16)19(20(15)31(23,29)30)21-25-27-28-26-21;2*1-2-13-3-5-14(6-4-13)11-15-7-9-17(16-8-10-18(22)24-12-16)19(20(15)31(23,29)30)21-25-27-28-26-21;1-12-2-4-13(5-3-12)10-14-6-8-16(15-7-9-17(21)23-11-15)18(19(14)30(22,28)29)20-24-26-27-25-20;19-15-4-2-13(10-22-15)14-3-1-12(9-11-5-7-21-8-6-11)17(29(20,27)28)16(14)18-23-25-26-24-18/h2*8-14H,2-7H2,1H3,(H2,22,24)(H2,23,29,30)(H,25,26,27,28);2*7-10,12-14H,2-6,11H2,1H3,(H2,22,24)(H2,23,29,30)(H,25,26,27,28);6-9,11-13H,2-5,10H2,1H3,(H2,21,23)(H2,22,28,29)(H,24,25,26,27);1-4,10-11,21H,5-9H2,(H2,19,22)(H2,20,27,28)(H,23,24,25,26)
InChIKeyFJDLJTAILJMBPI-UHFFFAOYSA-N
MW2608.27 g/mol
LogP14.90
Rot. Bonds34

About bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 158048003) has the molecular formula C122H155N43O12S6 and a molecular weight of 2608.27 g/mol. Its IUPAC name is bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Namebis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID158048003
Molecular FormulaC122H155N43O12S6
Molecular Weight2608.27 g/mol
Exact Mass2606.12
IUPAC Namebis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCC1CCC(CCc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.CC1CCC(CCc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.CC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.CCC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.CCC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.Nc1ccc(-c2ccc(CC3CCNCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/4C21H27N7O2S.C20H25N7O2S.C18H22N8O2S/c2*1-13-2-4-14(5-3-13)6-7-15-8-10-17(16-9-11-18(22)24-12-16)19(20(15)31(23,29)30)21-25-27-28-26-21;2*1-2-13-3-5-14(6-4-13)11-15-7-9-17(16-8-10-18(22)24-12-16)19(20(15)31(23,29)30)21-25-27-28-26-21;1-12-2-4-13(5-3-12)10-14-6-8-16(15-7-9-17(21)23-11-15)18(19(14)30(22,28)29)20-24-26-27-25-20;19-15-4-2-13(10-22-15)14-3-1-12(9-11-5-7-21-8-6-11)17(29(20,27)28)16(14)18-23-25-26-24-18/h2*8-14H,2-7H2,1H3,(H2,22,24)(H2,23,29,30)(H,25,26,27,28);2*7-10,12-14H,2-6,11H2,1H3,(H2,22,24)(H2,23,29,30)(H,25,26,27,28);6-9,11-13H,2-5,10H2,1H3,(H2,21,23)(H2,22,28,29)(H,24,25,26,27);1-4,10-11,21H,5-9H2,(H2,19,22)(H2,20,27,28)(H,23,24,25,26)
InChIKeyFJDLJTAILJMBPI-UHFFFAOYSA-N
XLogP14.90
TPSA933.21 Ų
H-Bond Donors19
H-Bond Acceptors43
Rotatable Bonds34
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002608.27
LogP ≤ 514.90
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1043

Analyze bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide with MolForge

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Related Compounds

3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266264
3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122694450
6-[(4-aminocyclohexyl)methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266265
3-[4-[1-(2-hydroxyethyl)azetidin-3-yl]phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256966
6-[2-[4-(aminomethyl)cyclohexyl]ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 130236069
3-(6-amino-3-pyridinyl)-6-piperazin-1-ylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135311532
3-[4-(azetidin-3-yl)phenyl]-6-(cyclohexylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 144893629
6-[(3-fluoropyrrolidin-3-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265977
4-(6-amino-3-pyridinyl)-1-N-[(3-aminopyrrolidin-3-yl)methyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135310764
S-[3-(6-amino-3-pyridinyl)-6-methylsulfinyl-2-(2H-tetrazol-5-yl)phenyl]thiohydroxylamine
CID 145214498
N,N'-diamino-6-(6-amino-3-pyridinyl)-3-(2-cyclohexylethyl)-2-sulfamoylbenzenecarboximidamide
CID 144893497
3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266421

Frequently Asked Questions

What is the IUPAC name of bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 158048003) is bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is CC1CCC(CCc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.CC1CCC(CCc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.CC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.CCC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.CCC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.Nc1ccc(-c2ccc(CC3CCNCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1.
What is the InChIKey of bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is FJDLJTAILJMBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C21H27N7O2S.C20H25N7O2S.C18H22N8O2S/c2*1-13-2-4-14(5-3-13)6-7-15-8-10-17(16-9-11-18(22)24-12-16)19(20(15)31(23,29)30)21-25-27-28-26-21;2*1-2-13-3-5-14(6-4-13)11-15-7-9-17(16-8-10-18(22)24-12-16)19(20(15)31(23,29)30)21-25-27-28-26-21;1-12-2-4-13(5-3-12)10-14-6-8-16(15-7-9-17(21)23-11-15)18(19(14)30(22,28)29)20-24-26-27-25-20;19-15-4-2-13(10-22-15)14-3-1-12(9-11-5-7-21-8-6-11)17(29(20,27)28)16(14)18-23-25-26-24-18/h2*8-14H,2-7H2,1H3,(H2,22,24)(H2,23,29,30)(H,25,26,27,28);2*7-10,12-14H,2-6,11H2,1H3,(H2,22,24)(H2,23,29,30)(H,25,26,27,28);6-9,11-13H,2-5,10H2,1H3,(H2,21,23)(H2,22,28,29)(H,24,25,26,27);1-4,10-11,21H,5-9H2,(H2,19,22)(H2,20,27,28)(H,23,24,25,26).
What are the key properties of bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 2608.27 g/mol, XLogP of 14.90, 34 rotatable bonds, 19 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 158048003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).