4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide

C19H22ClN3O4S — CID 3093171

IUPAC4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)N(CCO)CCO
InChIInChI=1S/C19H22ClN3O4S/c20-16-3-1-15(2-4-16)19-9-10-23(21-19)17-5-7-18(8-6-17)28(26,27)22(11-13-24)12-14-25/h1-8,24-25H,9-14H2
InChIKeyMFSDVTHDZNQWBH-UHFFFAOYSA-N
MW423.92 g/mol
LogP1.93
Rot. Bonds8

About 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide

4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide (PubChem CID 3093171) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
PubChem CID3093171
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC Name4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)N(CCO)CCO
InChIInChI=1S/C19H22ClN3O4S/c20-16-3-1-15(2-4-16)19-9-10-23(21-19)17-5-7-18(8-6-17)28(26,27)22(11-13-24)12-14-25/h1-8,24-25H,9-14H2
InChIKeyMFSDVTHDZNQWBH-UHFFFAOYSA-N
XLogP1.93
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzenesulphonamide
CID 75972
1-(4-(2-Dimethylaminoethylsulfonyl)-phenyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 82580
Ethanesulfonic acid, 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-, sodium salt (1:1)
CID 23686663
Belophor
CID 23665027
4-[3-(4-Chloro-phenyl)-5-(4-chloro-phenyl)-4,5-dihydro-pyrazol-1-yl]-benzene-sulfonamide (10d)
CID 126842558
4-[3-(4-Chlorophenyl)-5-phenyl-2-pyrazolin-1-yl]benzenesulfonamide
CID 14199395
4-[5-(4-Chlorophenyl)-3-phenyl-2-pyrazolin-1-yl]benzenesulfonamide
CID 13927311
4-[5-(3-Chlorophenyl)-3-phenyl-2-pyrazolin-1-yl]benzenesulfonamide
CID 44193696
C.I. 505510
CID 23688975
Formic acid, compd. with 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)-N,N-dimethylethanamine (1:1)
CID 164343
1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-(4-(methylsulfonyl)phenyl)-
CID 84333
4-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)piperazine-1-ethanol
CID 90267

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide (CID 3093171) is 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)N(CCO)CCO.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is MFSDVTHDZNQWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c20-16-3-1-15(2-4-16)19-9-10-23(21-19)17-5-7-18(8-6-17)28(26,27)22(11-13-24)12-14-25/h1-8,24-25H,9-14H2.
What are the key properties of 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 423.92 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 3093171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).