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

C11H12ClN3O2S — CID 25041271

IUPAC3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1Cl
InChIInChI=1S/C11H12ClN3O2S/c1-8-3-4-9(7-10(8)12)18(16,17)14-11-5-6-15(2)13-11/h3-7H,1-2H3,(H,13,14)
InChIKeyWIPGCYDACQRVTJ-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.18
Rot. Bonds3

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

3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 25041271) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID25041271
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1Cl
InChIInChI=1S/C11H12ClN3O2S/c1-8-3-4-9(7-10(8)12)18(16,17)14-11-5-6-15(2)13-11/h3-7H,1-2H3,(H,13,14)
InChIKeyWIPGCYDACQRVTJ-UHFFFAOYSA-N
XLogP2.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-methylpyrazol-3-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 64602431
N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide
CID 3601933
4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 79589626
2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209061
3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 115421296
2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 60703802
N-[1-(azetidin-3-yl)pyrazol-3-yl]-3-chloro-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 172896121
4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 54921777
3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 114379018
2-(methylamino)-N-(1-methylpyrazol-3-yl)pyrimidine-5-sulfonamide
CID 55043689
3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389543
4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60823882

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 25041271) is 3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is WIPGCYDACQRVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-8-3-4-9(7-10(8)12)18(16,17)14-11-5-6-15(2)13-11/h3-7H,1-2H3,(H,13,14).
What are the key properties of 3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 285.76 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 25041271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).