4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide

C23H23ClN2O3S — CID 86291491

IUPAC4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide
SMILESCc1c(-c2ccc(S(N)(=O)=O)cc2)c(C(=O)CC2CC2)n(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-14-21(16-7-11-19(12-8-16)30(25,28)29)23(20(27)13-15-3-4-15)26(2)22(14)17-5-9-18(24)10-6-17/h5-12,15H,3-4,13H2,1-2H3,(H2,25,28,29)
InChIKeyMUCQIHPPMKTGJF-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.95
Rot. Bonds6

About 4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide

4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide (PubChem CID 86291491) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide
PubChem CID86291491
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide
SMILESCc1c(-c2ccc(S(N)(=O)=O)cc2)c(C(=O)CC2CC2)n(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-14-21(16-7-11-19(12-8-16)30(25,28)29)23(20(27)13-15-3-4-15)26(2)22(14)17-5-9-18(24)10-6-17/h5-12,15H,3-4,13H2,1-2H3,(H2,25,28,29)
InChIKeyMUCQIHPPMKTGJF-UHFFFAOYSA-N
XLogP4.95
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-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-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide (CID 86291491) is 4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide is Cc1c(-c2ccc(S(N)(=O)=O)cc2)c(C(=O)CC2CC2)n(C)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide?
The InChIKey is MUCQIHPPMKTGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-14-21(16-7-11-19(12-8-16)30(25,28)29)23(20(27)13-15-3-4-15)26(2)22(14)17-5-9-18(24)10-6-17/h5-12,15H,3-4,13H2,1-2H3,(H2,25,28,29).
What are the key properties of 4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide?
4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide has a molecular weight of 442.97 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-2-(2-cyclopropylacetyl)-1,4-dimethylpyrrol-3-yl]benzenesulfonamide is sourced from PubChem (CID 86291491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).