4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C12H17N7O2S — CID 118266067

IUPAC4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(NC2CCCCC2)c1-c1nn[nH]n1
InChIInChI=1S/C12H17N7O2S/c13-22(20,21)12-10(11-16-18-19-17-11)9(6-7-14-12)15-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15)(H2,13,20,21)(H,16,17,18,19)
InChIKeyPBDPLYDSGUXSNA-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.65
Rot. Bonds4

About 4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118266067) has the molecular formula C12H17N7O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118266067
Molecular FormulaC12H17N7O2S
Molecular Weight323.38 g/mol
Exact Mass323.12
IUPAC Name4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(NC2CCCCC2)c1-c1nn[nH]n1
InChIInChI=1S/C12H17N7O2S/c13-22(20,21)12-10(11-16-18-19-17-11)9(6-7-14-12)15-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15)(H2,13,20,21)(H,16,17,18,19)
InChIKeyPBDPLYDSGUXSNA-UHFFFAOYSA-N
XLogP0.65
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118266067) is 4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(NC2CCCCC2)c1-c1nn[nH]n1.
What is the InChIKey of 4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is PBDPLYDSGUXSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2S/c13-22(20,21)12-10(11-16-18-19-17-11)9(6-7-14-12)15-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,15)(H2,13,20,21)(H,16,17,18,19).
What are the key properties of 4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 323.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118266067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).