5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide

C12H14ClN3O2S — CID 39836974

IUPAC5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(Cl)ccc2C)cn1
InChIInChI=1S/C12H14ClN3O2S/c1-3-16-8-11(7-14-16)15-19(17,18)12-6-10(13)5-4-9(12)2/h4-8,15H,3H2,1-2H3
InChIKeyMVUUCDZISZFKQQ-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.67
Rot. Bonds4

About 5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide

5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide (PubChem CID 39836974) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
PubChem CID39836974
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(Cl)ccc2C)cn1
InChIInChI=1S/C12H14ClN3O2S/c1-3-16-8-11(7-14-16)15-19(17,18)12-6-10(13)5-4-9(12)2/h4-8,15H,3H2,1-2H3
InChIKeyMVUUCDZISZFKQQ-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 60779710
5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79896455
2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide
CID 4866532
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 71991658
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744848
6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 39836918
N-(1-ethylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 39836912
2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
CID 43543211
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 17376645
3-[(1-ethylpyrazol-4-yl)sulfamoyl]-2-methylbenzoic acid
CID 63744322
3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
CID 43543231
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide (CID 39836974) is 5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide is CCn1cc(NS(=O)(=O)c2cc(Cl)ccc2C)cn1.
What is the InChIKey of 5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide?
The InChIKey is MVUUCDZISZFKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-3-16-8-11(7-14-16)15-19(17,18)12-6-10(13)5-4-9(12)2/h4-8,15H,3H2,1-2H3.
What are the key properties of 5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide?
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 39836974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).