4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C27H26N4O4S2 — CID 162660957

IUPAC4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCOc1cccc([C@@H]2CC(c3sc(-c4ccccc4)nc3C)=NN2c2ccc(S(N)(=O)=O)cc2)c1OC
InChIInChI=1S/C27H26N4O4S2/c1-17-26(36-27(29-17)18-8-5-4-6-9-18)22-16-23(21-10-7-11-24(34-2)25(21)35-3)31(30-22)19-12-14-20(15-13-19)37(28,32)33/h4-15,23H,16H2,1-3H3,(H2,28,32,33)/t23-/m0/s1
InChIKeyGGRWEHVYGXFMCS-QHCPKHFHSA-N
MW534.66 g/mol
LogP5.14
Rot. Bonds7

About 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 162660957) has the molecular formula C27H26N4O4S2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID162660957
Molecular FormulaC27H26N4O4S2
Molecular Weight534.66 g/mol
Exact Mass534.14
IUPAC Name4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCOc1cccc([C@@H]2CC(c3sc(-c4ccccc4)nc3C)=NN2c2ccc(S(N)(=O)=O)cc2)c1OC
InChIInChI=1S/C27H26N4O4S2/c1-17-26(36-27(29-17)18-8-5-4-6-9-18)22-16-23(21-10-7-11-24(34-2)25(21)35-3)31(30-22)19-12-14-20(15-13-19)37(28,32)33/h4-15,23H,16H2,1-3H3,(H2,28,32,33)/t23-/m0/s1
InChIKeyGGRWEHVYGXFMCS-QHCPKHFHSA-N
XLogP5.14
TPSA107.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3S)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-2-phenyl-1,3-thiazole
CID 127048940
4-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 171343851
2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
CID 177249178
4-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 71597509
2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid
CID 91969569
4-[5-(3,4-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 155812867
2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 3106181
4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 16832268
4-[5-(3-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 42628036
2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 39902669
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 166451571

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 162660957) is 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is COc1cccc([C@@H]2CC(c3sc(-c4ccccc4)nc3C)=NN2c2ccc(S(N)(=O)=O)cc2)c1OC.
What is the InChIKey of 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is GGRWEHVYGXFMCS-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H26N4O4S2/c1-17-26(36-27(29-17)18-8-5-4-6-9-18)22-16-23(21-10-7-11-24(34-2)25(21)35-3)31(30-22)19-12-14-20(15-13-19)37(28,32)33/h4-15,23H,16H2,1-3H3,(H2,28,32,33)/t23-/m0/s1.
What are the key properties of 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 534.66 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 162660957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).