3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide

C11H9ClN4O2S — CID 47309988

IUPAC3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1
InChIInChI=1S/C11H9ClN4O2S/c1-16-7-9(6-14-16)15-19(17,18)10-3-2-8(5-13)11(12)4-10/h2-4,6-7,15H,1H3
InChIKeyQKUFSZUMFAKTRO-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.75
Rot. Bonds3

About 3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide

3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 47309988) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID47309988
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC Name3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1
InChIInChI=1S/C11H9ClN4O2S/c1-16-7-9(6-14-16)15-19(17,18)10-3-2-8(5-13)11(12)4-10/h2-4,6-7,15H,1H3
InChIKeyQKUFSZUMFAKTRO-UHFFFAOYSA-N
XLogP1.75
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 115329714
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 113229615
5-chloro-6-(ethylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 64607000
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
4-hydroxy-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43535283
3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 115619551
6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
CID 43236398
4-amino-3-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 82843709
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide
CID 102990094

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 47309988) is 3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is QKUFSZUMFAKTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c1-16-7-9(6-14-16)15-19(17,18)10-3-2-8(5-13)11(12)4-10/h2-4,6-7,15H,1H3.
What are the key properties of 3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 296.74 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 47309988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).