1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide

C10H10ClN3O2S — CID 63278705

IUPAC1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C10H10ClN3O2S/c11-9-3-1-2-8(4-9)6-14-7-10(5-13-14)17(12,15)16/h1-5,7H,6H2,(H2,12,15,16)
InChIKeyZOTAGVBMKPFNGK-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.23
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide

1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 63278705) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide
PubChem CID63278705
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C10H10ClN3O2S/c11-9-3-1-2-8(4-9)6-14-7-10(5-13-14)17(12,15)16/h1-5,7H,6H2,(H2,12,15,16)
InChIKeyZOTAGVBMKPFNGK-UHFFFAOYSA-N
XLogP1.23
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 79001292
1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 107889713
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127
1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide
CID 81340006
3-[(4-methylsulfonylpyrazol-1-yl)methyl]aniline
CID 165480925
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 17022795
1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 81340365
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63754789
1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 79001284
1-[(3-chlorophenyl)methyl]-4-(3-iodophenyl)pyrazole
CID 79787414
1-(2-aminoethyl)-N-(3-chlorophenyl)pyrazole-4-sulfonamide
CID 106060399
N-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 55110405

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide (CID 63278705) is 1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(Cc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is ZOTAGVBMKPFNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c11-9-3-1-2-8(4-9)6-14-7-10(5-13-14)17(12,15)16/h1-5,7H,6H2,(H2,12,15,16).
What are the key properties of 1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide?
1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 271.73 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 63278705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).