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

C15H15N5O2S — CID 46830882

IUPAC4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2C)cc1
InChIInChI=1S/C15H15N5O2S/c1-10-3-7-13(8-4-10)23(21,22)18-14-9-12(6-5-11(14)2)15-16-19-20-17-15/h3-9,18H,1-2H3,(H,16,17,19,20)
InChIKeyMBXJTOSWHOQOKY-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.28
Rot. Bonds4

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

4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 46830882) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID46830882
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2C)cc1
InChIInChI=1S/C15H15N5O2S/c1-10-3-7-13(8-4-10)23(21,22)18-14-9-12(6-5-11(14)2)15-16-19-20-17-15/h3-9,18H,1-2H3,(H,16,17,19,20)
InChIKeyMBXJTOSWHOQOKY-UHFFFAOYSA-N
XLogP2.28
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
CID 171350497
4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 44576535
1-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 166313518
4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720283
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
CID 165343462
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122285414
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide (CID 46830882) is 4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2C)cc1.
What is the InChIKey of 4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is MBXJTOSWHOQOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-10-3-7-13(8-4-10)23(21,22)18-14-9-12(6-5-11(14)2)15-16-19-20-17-15/h3-9,18H,1-2H3,(H,16,17,19,20).
What are the key properties of 4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 329.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46830882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).