4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide

C11H9ClN4O2S — CID 106139096

IUPAC4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C11H9ClN4O2S/c1-16-11(10(12)7-14-16)19(17,18)15-9-4-2-8(6-13)3-5-9/h2-5,7,15H,1H3
InChIKeyGAPZXBPSAVDELE-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.75
Rot. Bonds3

About 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide

4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 106139096) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide
PubChem CID106139096
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC Name4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C11H9ClN4O2S/c1-16-11(10(12)7-14-16)19(17,18)15-9-4-2-8(6-13)3-5-9/h2-5,7,15H,1H3
InChIKeyGAPZXBPSAVDELE-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-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 106315690
N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313893
4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106139079
N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114150340
4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide
CID 106314666
4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide
CID 106316289
N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313783
4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
CID 106316125
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
N-(4-bromo-2-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106139139
4-chloro-N-(4-cyanobutyl)-1-methylpyrazole-5-sulfonamide
CID 106150633
4-chloro-N-(4-hydroxy-2-methylphenyl)-1-methylpyrazole-5-sulfonamide
CID 106147360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide (CID 106139096) is 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is GAPZXBPSAVDELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c1-16-11(10(12)7-14-16)19(17,18)15-9-4-2-8(6-13)3-5-9/h2-5,7,15H,1H3.
What are the key properties of 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-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 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106139096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).