1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide

C9H9ClN4O2S — CID 17257539

IUPAC1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nn1cnnc1
InChIInChI=1S/C9H9ClN4O2S/c10-9-4-2-1-3-8(9)5-17(15,16)13-14-6-11-12-7-14/h1-4,6-7,13H,5H2
InChIKeyJZIXFDWUCALLBW-UHFFFAOYSA-N
MW272.72 g/mol
LogP1.00
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide

1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide (PubChem CID 17257539) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide
PubChem CID17257539
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC Name1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nn1cnnc1
InChIInChI=1S/C9H9ClN4O2S/c10-9-4-2-1-3-8(9)5-17(15,16)13-14-6-11-12-7-14/h1-4,6-7,13H,5H2
InChIKeyJZIXFDWUCALLBW-UHFFFAOYSA-N
XLogP1.00
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-(4-cyclopentylpiperazin-1-yl)methanesulfonamide;hydrochloride
CID 163331891
1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 3944658
1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 4654981
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 2988708
1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide
CID 112503749
1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
CID 17257615
N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108506085
1-(2-chlorophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 75538969
1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780996
1-(2-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]methanesulfonamide
CID 110782254
1-(2-chlorophenyl)-N-heptylmethanesulfonamide
CID 17257569

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide (CID 17257539) is 1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)Nn1cnnc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide?
The InChIKey is JZIXFDWUCALLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c10-9-4-2-1-3-8(9)5-17(15,16)13-14-6-11-12-7-14/h1-4,6-7,13H,5H2.
What are the key properties of 1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide?
1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide has a molecular weight of 272.72 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide is sourced from PubChem (CID 17257539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).