6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C20H26N8O2S — CID 118266269

IUPAC6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNCC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
InChIInChI=1S/C20H26N8O2S/c21-10-13-3-1-12(2-4-13)9-14-5-7-16(15-6-8-17(22)24-11-15)18(19(14)31(23,29)30)20-25-27-28-26-20/h5-8,11-13H,1-4,9-10,21H2,(H2,22,24)(H2,23,29,30)(H,25,26,27,28)
InChIKeyPGGRHFVPSHITAX-UHFFFAOYSA-N
MW442.55 g/mol
LogP1.47
Rot. Bonds6

About 6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266269) has the molecular formula C20H26N8O2S and a molecular weight of 442.55 g/mol. Its IUPAC name is 6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266269
Molecular FormulaC20H26N8O2S
Molecular Weight442.55 g/mol
Exact Mass442.19
IUPAC Name6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNCC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
InChIInChI=1S/C20H26N8O2S/c21-10-13-3-1-12(2-4-13)9-14-5-7-16(15-6-8-17(22)24-11-15)18(19(14)31(23,29)30)20-25-27-28-26-20/h5-8,11-13H,1-4,9-10,21H2,(H2,22,24)(H2,23,29,30)(H,25,26,27,28)
InChIKeyPGGRHFVPSHITAX-UHFFFAOYSA-N
XLogP1.47
TPSA179.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266269) is 6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is NCC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.
What is the InChIKey of 6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is PGGRHFVPSHITAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2S/c21-10-13-3-1-12(2-4-13)9-14-5-7-16(15-6-8-17(22)24-11-15)18(19(14)31(23,29)30)20-25-27-28-26-20/h5-8,11-13H,1-4,9-10,21H2,(H2,22,24)(H2,23,29,30)(H,25,26,27,28).
What are the key properties of 6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 442.55 g/mol, XLogP of 1.47, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(aminomethyl)cyclohexyl]methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).