4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide

C20H18N4O2S — CID 17220334

IUPAC4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1
InChIInChI=1S/C20H18N4O2S/c1-14-8-10-17(11-9-14)27(25,26)23-18-13-20-19(12-15(18)2)21-24(22-20)16-6-4-3-5-7-16/h3-13,23H,1-2H3
InChIKeyRSRSMZXKTAOELG-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.84
Rot. Bonds4

About 4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide

4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide (PubChem CID 17220334) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide
PubChem CID17220334
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1
InChIInChI=1S/C20H18N4O2S/c1-14-8-10-17(11-9-14)27(25,26)23-18-13-20-19(12-15(18)2)21-24(22-20)16-6-4-3-5-7-16/h3-13,23H,1-2H3
InChIKeyRSRSMZXKTAOELG-UHFFFAOYSA-N
XLogP3.84
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzenesulfonamide
CID 169372023
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide
CID 169371169
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide
CID 46242018
3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide
CID 1121659
N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
CID 19431161
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741
(E)-N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-phenylprop-2-enamide
CID 1275862
N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
CID 827506
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide (CID 17220334) is 4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1.
What is the InChIKey of 4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide?
The InChIKey is RSRSMZXKTAOELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-14-8-10-17(11-9-14)27(25,26)23-18-13-20-19(12-15(18)2)21-24(22-20)16-6-4-3-5-7-16/h3-13,23H,1-2H3.
What are the key properties of 4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide?
4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide has a molecular weight of 378.46 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 17220334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).