3-[[4-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-YL]phenyl]sulfonyl]-N-[2-(dimethylamino)ethyl]-propanamide

HCID 175437

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Basic information

CAS: 42952-21-6
Standard SMILES: CN(C)CCNC(=O)CCS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1
InChIKey: KIZIJWPJYCEHQT-UHFFFAOYSA-N
Molecular formula: C22H27ClN4O3S
Average molar mass: 463 g/mol
Monoisotopic mass: 462.1492396

Names & identifiers

Preferred name: 3-[[4-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-YL]phenyl]sulfonyl]-N-[2-(dimethylamino)ethyl]-propanamide
IUPAC: 3-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N-[2-(dimethylamino)ethyl]propanamide
English name: 3-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N-[2-(dimethylamino)ethyl]-Propanamide
Molecular formula: C22H27ClN4O3S
Molecular weight: 462.99

Names & synonyms

42952-21-63-[[4-[3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]PHENYL]SULFONYL]-N-[2-(DIMETHYLAMINO)ETHYL]-PROPANAMIDEDTXSID10276638KIZIJWPJYCEHQT-UHFFFAOYSA-N3-{4-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}-N-[2-(dimethylamino)ethyl]propanamidePropanamide, 3-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N-[2-(dimethylamino)ethyl]-

Database identifiers

CAS: 42952-21-6
PubChem CID: 175437
DTXSID: DTXSID10276638
Nikkaji: J313.686H

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 90.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 31
Formal charge: 0
Complexity: 722

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