3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide

C17H17ClN4O2S — CID 121018967

IUPAC3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C17H17ClN4O2S/c1-13-15(18)8-5-9-17(13)25(23,24)21-16(12-22-19-10-11-20-22)14-6-3-2-4-7-14/h2-11,16,21H,12H2,1H3
InChIKeyYYCQCQUGSVOWLV-UHFFFAOYSA-N
MW376.87 g/mol
LogP2.96
Rot. Bonds6

About 3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide

3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 121018967) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
PubChem CID121018967
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C17H17ClN4O2S/c1-13-15(18)8-5-9-17(13)25(23,24)21-16(12-22-19-10-11-20-22)14-6-3-2-4-7-14/h2-11,16,21H,12H2,1H3
InChIKeyYYCQCQUGSVOWLV-UHFFFAOYSA-N
XLogP2.96
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635
2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176514
N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide
CID 121176556
3,5-dimethyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 124761115
2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129416500
N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 119101653
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide
CID 121176568
3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176531
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 121176610
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837095

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide (CID 121018967) is 3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NC(Cn1nccn1)c1ccccc1.
What is the InChIKey of 3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is YYCQCQUGSVOWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-13-15(18)8-5-9-17(13)25(23,24)21-16(12-22-19-10-11-20-22)14-6-3-2-4-7-14/h2-11,16,21H,12H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide?
3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 376.87 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 121018967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).