4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C13H13N7O2S — CID 123564607

IUPAC4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNCc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H13N7O2S/c14-7-8-1-3-9(4-2-8)10-5-6-16-13(23(15,21)22)11(10)12-17-19-20-18-12/h1-6H,7,14H2,(H2,15,21,22)(H,17,18,19,20)
InChIKeyLCBILGSRLMGCBO-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.03
Rot. Bonds4

About 4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 123564607) has the molecular formula C13H13N7O2S and a molecular weight of 331.36 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID123564607
Molecular FormulaC13H13N7O2S
Molecular Weight331.36 g/mol
Exact Mass331.09
IUPAC Name4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNCc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H13N7O2S/c14-7-8-1-3-9(4-2-8)10-5-6-16-13(23(15,21)22)11(10)12-17-19-20-18-12/h1-6H,7,14H2,(H2,15,21,22)(H,17,18,19,20)
InChIKeyLCBILGSRLMGCBO-UHFFFAOYSA-N
XLogP0.03
TPSA153.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 123564607) is 4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NCc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is LCBILGSRLMGCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2S/c14-7-8-1-3-9(4-2-8)10-5-6-16-13(23(15,21)22)11(10)12-17-19-20-18-12/h1-6H,7,14H2,(H2,15,21,22)(H,17,18,19,20).
What are the key properties of 4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 331.36 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 123564607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).