4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide

C23H20ClF3N2O3S — CID 86269910

IUPAC4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide
SMILESCc1c(C(=O)CC2CC2)c(-c2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF3N2O3S/c1-13-20(19(30)12-14-2-3-14)21(15-4-10-18(11-5-15)33(28,31)32)22(23(25,26)27)29(13)17-8-6-16(24)7-9-17/h4-11,14H,2-3,12H2,1H3,(H2,28,31,32)
InChIKeyNQFFBDZMQYDCPT-UHFFFAOYSA-N
MW496.94 g/mol
LogP5.76
Rot. Bonds6

About 4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide

4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide (PubChem CID 86269910) has the molecular formula C23H20ClF3N2O3S and a molecular weight of 496.94 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide
PubChem CID86269910
Molecular FormulaC23H20ClF3N2O3S
Molecular Weight496.94 g/mol
Exact Mass496.08
IUPAC Name4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide
SMILESCc1c(C(=O)CC2CC2)c(-c2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF3N2O3S/c1-13-20(19(30)12-14-2-3-14)21(15-4-10-18(11-5-15)33(28,31)32)22(23(25,26)27)29(13)17-8-6-16(24)7-9-17/h4-11,14H,2-3,12H2,1H3,(H2,28,31,32)
InChIKeyNQFFBDZMQYDCPT-UHFFFAOYSA-N
XLogP5.76
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.94
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide (CID 86269910) is 4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide is Cc1c(C(=O)CC2CC2)c(-c2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)n1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide?
The InChIKey is NQFFBDZMQYDCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O3S/c1-13-20(19(30)12-14-2-3-14)21(15-4-10-18(11-5-15)33(28,31)32)22(23(25,26)27)29(13)17-8-6-16(24)7-9-17/h4-11,14H,2-3,12H2,1H3,(H2,28,31,32).
What are the key properties of 4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide?
4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide has a molecular weight of 496.94 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-4-(2-cyclopropylacetyl)-5-methyl-2-(trifluoromethyl)pyrrol-3-yl]benzenesulfonamide is sourced from PubChem (CID 86269910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).