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

C15H13N5O3S — CID 110720283

IUPAC4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C15H13N5O3S/c1-10(21)11-4-8-14(9-5-11)24(22,23)18-13-6-2-12(3-7-13)15-16-19-20-17-15/h2-9,18H,1H3,(H,16,17,19,20)
InChIKeyMQRNKUHWAXDBNX-UHFFFAOYSA-N
MW343.37 g/mol
LogP1.87
Rot. Bonds5

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

4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 110720283) has the molecular formula C15H13N5O3S and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID110720283
Molecular FormulaC15H13N5O3S
Molecular Weight343.37 g/mol
Exact Mass343.07
IUPAC Name4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C15H13N5O3S/c1-10(21)11-4-8-14(9-5-11)24(22,23)18-13-6-2-12(3-7-13)15-16-19-20-17-15/h2-9,18H,1H3,(H,16,17,19,20)
InChIKeyMQRNKUHWAXDBNX-UHFFFAOYSA-N
XLogP1.87
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720243
N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 137499938
N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide
CID 110720244
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 46830882
[2-(methylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7741002
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629409
(3,3-dimethyl-2-oxobutyl) 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7741006
[2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7740998
propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide
CID 50752723

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide (CID 110720283) is 4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is MQRNKUHWAXDBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S/c1-10(21)11-4-8-14(9-5-11)24(22,23)18-13-6-2-12(3-7-13)15-16-19-20-17-15/h2-9,18H,1H3,(H,16,17,19,20).
What are the key properties of 4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 343.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110720283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).