2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide

C19H22N4O2S — CID 52700448

IUPAC2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c(C)c1
InChIInChI=1S/C19H22N4O2S/c1-12(2)18-20-19(22-21-18)15-7-5-6-8-16(15)23-26(24,25)17-10-9-13(3)11-14(17)4/h5-12,23H,1-4H3,(H,20,21,22)
InChIKeyISSLWFJZVUMIOR-UHFFFAOYSA-N
MW370.48 g/mol
LogP4.01
Rot. Bonds5

About 2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide

2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (PubChem CID 52700448) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
PubChem CID52700448
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c(C)c1
InChIInChI=1S/C19H22N4O2S/c1-12(2)18-20-19(22-21-18)15-7-5-6-8-16(15)23-26(24,25)17-10-9-13(3)11-14(17)4/h5-12,23H,1-4H3,(H,20,21,22)
InChIKeyISSLWFJZVUMIOR-UHFFFAOYSA-N
XLogP4.01
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide with MolForge

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Related Compounds

3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 55901351
4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 60534452
8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide
CID 60534420
4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 47068379
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119296859
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866
2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 55981489
2-(cyclopropylmethylamino)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide;hydrochloride
CID 119737134
4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 43258274

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (CID 52700448) is 2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is ISSLWFJZVUMIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12(2)18-20-19(22-21-18)15-7-5-6-8-16(15)23-26(24,25)17-10-9-13(3)11-14(17)4/h5-12,23H,1-4H3,(H,20,21,22).
What are the key properties of 2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 52700448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).