N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide

C11H9ClN4O2S — CID 104625509

IUPACN-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C11H9ClN4O2S/c1-16-11(4-5-14-16)19(17,18)15-10-6-9(12)3-2-8(10)7-13/h2-6,15H,1H3
InChIKeyYLLKHQYUJHIUNF-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.75
Rot. Bonds3

About N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide

N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 104625509) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide
PubChem CID104625509
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C11H9ClN4O2S/c1-16-11(4-5-14-16)19(17,18)15-10-6-9(12)3-2-8(10)7-13/h2-6,15H,1H3
InChIKeyYLLKHQYUJHIUNF-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

N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide
CID 115744817
5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 61051415
N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide
CID 115663120
2-amino-N-(5-chloro-2-cyanophenyl)pyridine-4-sulfonamide
CID 64920454
N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64917903
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 107266789
5-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)thiophene-2-sulfonamide
CID 80577587
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
CID 115643661
N-[4-[(5-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
CID 154297068
2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide
CID 64914782
4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 64914781

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide (CID 104625509) is N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is YLLKHQYUJHIUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c1-16-11(4-5-14-16)19(17,18)15-10-6-9(12)3-2-8(10)7-13/h2-6,15H,1H3.
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide?
N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide 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 N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104625509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).