4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide

C17H16ClN3O3S — CID 1099010

IUPAC4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H16ClN3O3S/c1-12-16(19-25(23,24)15-10-8-13(18)9-11-15)17(22)21(20(12)2)14-6-4-3-5-7-14/h3-11,19H,1-2H3
InChIKeyDLXVSVNBDFPTBO-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.94
Rot. Bonds4

About 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide

4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide (PubChem CID 1099010) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide
PubChem CID1099010
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H16ClN3O3S/c1-12-16(19-25(23,24)15-10-8-13(18)9-11-15)17(22)21(20(12)2)14-6-4-3-5-7-14/h3-11,19H,1-2H3
InChIKeyDLXVSVNBDFPTBO-UHFFFAOYSA-N
XLogP2.94
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzenesulfonamide
CID 1032881
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4788777
Sodium 3-chloro-4-(5-hydroxy-3-methyl-4-(3-(phenylaminosulphonyl)phenylazo)-1H-pyrazole-1-yl)benzenesulphonate
CID 135565306
N-(2-{[(4-chlorophenyl)sulfonyl]amino}phenyl)acetamide
CID 873668
4-[({4-[(Dimethylamino)diazenyl]phenyl}sulfonyl)amino]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
CID 1127268
2-[(4-chlorophenyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
CID 1143134
3-[(4-chlorophenyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide
CID 1208654
2-[Benzenesulfonyl-(4-chloro-phenyl)-amino]-N-ethyl-acetamide
CID 2271056
1-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
CID 2321919
2-[Benzenesulfonyl-(4-chloro-phenyl)-amino]-N,N-diethyl-acetamide
CID 3139007
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-nitrobenzenesulfonamide
CID 4449898
(2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 1487038

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide (CID 1099010) is 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide is Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is DLXVSVNBDFPTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-12-16(19-25(23,24)15-10-8-13(18)9-11-15)17(22)21(20(12)2)14-6-4-3-5-7-14/h3-11,19H,1-2H3.
What are the key properties of 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide?
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 377.85 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 1099010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).