4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C22H21ClN4O4S2 — CID 126842653

IUPAC4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C22H21ClN4O4S2/c1-32(28,29)26-18-8-4-15(5-9-18)21-14-22(16-2-6-17(23)7-3-16)27(25-21)19-10-12-20(13-11-19)33(24,30)31/h2-13,22,26H,14H2,1H3,(H2,24,30,31)
InChIKeyXWODFOHBLAVVBU-UHFFFAOYSA-N
MW505.02 g/mol
LogP3.71
Rot. Bonds6

About 4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 126842653) has the molecular formula C22H21ClN4O4S2 and a molecular weight of 505.02 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID126842653
Molecular FormulaC22H21ClN4O4S2
Molecular Weight505.02 g/mol
Exact Mass504.07
IUPAC Name4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C22H21ClN4O4S2/c1-32(28,29)26-18-8-4-15(5-9-18)21-14-22(16-2-6-17(23)7-3-16)27(25-21)19-10-12-20(13-11-19)33(24,30)31/h2-13,22,26H,14H2,1H3,(H2,24,30,31)
InChIKeyXWODFOHBLAVVBU-UHFFFAOYSA-N
XLogP3.71
TPSA121.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.02
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide with MolForge

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Related Compounds

4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 159537183
4-[3-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 127035964
4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 166451571
N-[4-[(3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41049319
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 40539104
3,5-bis(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 71408472
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
N-[4-[(3R)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 7081210
N-[4-[(3S)-2-acetyl-3-(3-chloro-4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 100663990
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 126842653) is 4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide is CS(=O)(=O)Nc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is XWODFOHBLAVVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O4S2/c1-32(28,29)26-18-8-4-15(5-9-18)21-14-22(16-2-6-17(23)7-3-16)27(25-21)19-10-12-20(13-11-19)33(24,30)31/h2-13,22,26H,14H2,1H3,(H2,24,30,31).
What are the key properties of 4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 505.02 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 126842653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).