4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide

C14H14N4O2S — CID 169370714

IUPAC4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)nnn3C)cc1
InChIInChI=1S/C14H14N4O2S/c1-10-3-6-12(7-4-10)21(19,20)16-11-5-8-14-13(9-11)15-17-18(14)2/h3-9,16H,1-2H3
InChIKeyGGGKCUTUTSTSRC-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.08
Rot. Bonds3

About 4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide

4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide (PubChem CID 169370714) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide
PubChem CID169370714
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)nnn3C)cc1
InChIInChI=1S/C14H14N4O2S/c1-10-3-6-12(7-4-10)21(19,20)16-11-5-8-14-13(9-11)15-17-18(14)2/h3-9,16H,1-2H3
InChIKeyGGGKCUTUTSTSRC-UHFFFAOYSA-N
XLogP2.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylbenzotriazol-5-yl)-3-(4-methylphenyl)urea
CID 894194
1-methylbenzotriazole-5-sulfonyl chloride
CID 83671062
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide
CID 169371169
4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17244510
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 1373136
N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide
CID 169371827
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide
CID 1097865
4-methyl-N-(3-methyl-4-oxoquinazolin-6-yl)benzenesulfonamide
CID 169372734
5-chloro-N-(1-methylbenzotriazol-5-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 166373262
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide (CID 169370714) is 4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nnn3C)cc1.
What is the InChIKey of 4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide?
The InChIKey is GGGKCUTUTSTSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-3-6-12(7-4-10)21(19,20)16-11-5-8-14-13(9-11)15-17-18(14)2/h3-9,16H,1-2H3.
What are the key properties of 4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide?
4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 169370714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).