3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide

C10H10ClN3O2S — CID 43540546

IUPAC3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H10ClN3O2S/c1-7-9(11)3-2-4-10(7)17(15,16)14-8-5-12-13-6-8/h2-6,14H,1H3,(H,12,13)
InChIKeyHUGXFZWQCRSARN-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.17
Rot. Bonds3

About 3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide

3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 43540546) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID43540546
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H10ClN3O2S/c1-7-9(11)3-2-4-10(7)17(15,16)14-8-5-12-13-6-8/h2-6,14H,1H3,(H,12,13)
InChIKeyHUGXFZWQCRSARN-UHFFFAOYSA-N
XLogP2.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
CID 82890326
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 115698055
N-(1H-pyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 75393074
4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540598
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 55043588
4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532785

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 43540546) is 3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1cn[nH]c1.
What is the InChIKey of 3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is HUGXFZWQCRSARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-7-9(11)3-2-4-10(7)17(15,16)14-8-5-12-13-6-8/h2-6,14H,1H3,(H,12,13).
What are the key properties of 3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 271.73 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43540546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).