4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C13H19N7O2S — CID 118266065

IUPAC4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCN(c1ccnc(S(N)(=O)=O)c1-c1nn[nH]n1)C1CCCCC1
InChIInChI=1S/C13H19N7O2S/c1-20(9-5-3-2-4-6-9)10-7-8-15-13(23(14,21)22)11(10)12-16-18-19-17-12/h7-9H,2-6H2,1H3,(H2,14,21,22)(H,16,17,18,19)
InChIKeyKCMJBZSOLRAOTK-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.68
Rot. Bonds4

About 4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118266065) has the molecular formula C13H19N7O2S and a molecular weight of 337.41 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118266065
Molecular FormulaC13H19N7O2S
Molecular Weight337.41 g/mol
Exact Mass337.13
IUPAC Name4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCN(c1ccnc(S(N)(=O)=O)c1-c1nn[nH]n1)C1CCCCC1
InChIInChI=1S/C13H19N7O2S/c1-20(9-5-3-2-4-6-9)10-7-8-15-13(23(14,21)22)11(10)12-16-18-19-17-12/h7-9H,2-6H2,1H3,(H2,14,21,22)(H,16,17,18,19)
InChIKeyKCMJBZSOLRAOTK-UHFFFAOYSA-N
XLogP0.68
TPSA130.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118266065) is 4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is CN(c1ccnc(S(N)(=O)=O)c1-c1nn[nH]n1)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is KCMJBZSOLRAOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O2S/c1-20(9-5-3-2-4-6-9)10-7-8-15-13(23(14,21)22)11(10)12-16-18-19-17-12/h7-9H,2-6H2,1H3,(H2,14,21,22)(H,16,17,18,19).
What are the key properties of 4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 337.41 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118266065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).