N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide

C14H14N4O2S — CID 110732198

IUPACN-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3n[nH]nc23)cc1C
InChIInChI=1S/C14H14N4O2S/c1-9-6-7-11(8-10(9)2)21(19,20)17-13-5-3-4-12-14(13)16-18-15-12/h3-8,17H,1-2H3,(H,15,16,18)
InChIKeyYOAQWJOGFSASEO-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.38
Rot. Bonds3

About N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide

N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide (PubChem CID 110732198) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide
PubChem CID110732198
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3n[nH]nc23)cc1C
InChIInChI=1S/C14H14N4O2S/c1-9-6-7-11(8-10(9)2)21(19,20)17-13-5-3-4-12-14(13)16-18-15-12/h3-8,17H,1-2H3,(H,15,16,18)
InChIKeyYOAQWJOGFSASEO-UHFFFAOYSA-N
XLogP2.38
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide
CID 110732242
N-(2H-benzotriazol-4-yl)-1,3-benzodioxole-5-sulfonamide
CID 110732214
N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 110732213
N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 79602574
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65030743
N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide
CID 47093112
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
3-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 60603862
3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 20961997
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
N-(2H-benzotriazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 110732229

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide (CID 110732198) is N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc3n[nH]nc23)cc1C.
What is the InChIKey of N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is YOAQWJOGFSASEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-9-6-7-11(8-10(9)2)21(19,20)17-13-5-3-4-12-14(13)16-18-15-12/h3-8,17H,1-2H3,(H,15,16,18).
What are the key properties of N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide?
N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110732198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).