4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide

C14H13N5O3S — CID 110720303

IUPAC4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C14H13N5O3S/c1-22-12-5-7-13(8-6-12)23(20,21)17-11-4-2-3-10(9-11)14-15-18-19-16-14/h2-9,17H,1H3,(H,15,16,18,19)
InChIKeyGFGHHLXIGDBPKJ-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.68
Rot. Bonds5

About 4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide

4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 110720303) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID110720303
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC Name4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C14H13N5O3S/c1-22-12-5-7-13(8-6-12)23(20,21)17-11-4-2-3-10(9-11)14-15-18-19-16-14/h2-9,17H,1H3,(H,15,16,18,19)
InChIKeyGFGHHLXIGDBPKJ-UHFFFAOYSA-N
XLogP1.68
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
CID 171357428
N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
CID 171350497
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720322
3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide
CID 56941162
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
CID 56942318
4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 30868046
4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720283
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 46830882
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 52669079

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide (CID 110720303) is 4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is GFGHHLXIGDBPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-22-12-5-7-13(8-6-12)23(20,21)17-11-4-2-3-10(9-11)14-15-18-19-16-14/h2-9,17H,1H3,(H,15,16,18,19).
What are the key properties of 4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 331.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110720303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).