N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide

C19H15ClN4O2S — CID 169371169

IUPACN-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1
InChIInChI=1S/C19H15ClN4O2S/c1-13-2-9-17(10-3-13)27(25,26)23-15-6-11-18-19(12-15)22-24(21-18)16-7-4-14(20)5-8-16/h2-12,23H,1H3
InChIKeyXLSHIVPUOXZQQY-UHFFFAOYSA-N
MW398.88 g/mol
LogP4.18
Rot. Bonds4

About N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide

N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide (PubChem CID 169371169) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide
PubChem CID169371169
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC NameN-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1
InChIInChI=1S/C19H15ClN4O2S/c1-13-2-9-17(10-3-13)27(25,26)23-15-6-11-18-19(12-15)22-24(21-18)16-7-4-14(20)5-8-16/h2-12,23H,1H3
InChIKeyXLSHIVPUOXZQQY-UHFFFAOYSA-N
XLogP4.18
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-(5-amino-4-bromo-6-chlorobenzotriazol-2-yl)-N-(4-methylphenyl)benzenesulfonamide
CID 91679877
N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370933
4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide
CID 17220334
4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide
CID 169370714
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359
N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzenesulfonamide
CID 169372023
N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide
CID 141108026
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
1-[2-(4-chlorophenyl)benzotriazol-5-yl]-3-methylthiourea
CID 163367313

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide (CID 169371169) is N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide?
The InChIKey is XLSHIVPUOXZQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c1-13-2-9-17(10-3-13)27(25,26)23-15-6-11-18-19(12-15)22-24(21-18)16-7-4-14(20)5-8-16/h2-12,23H,1H3.
What are the key properties of N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide?
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide has a molecular weight of 398.88 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).