N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide

C22H21ClN2O3S — CID 2887918

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-29(27,28)25(17-12-10-16(23)11-13-17)15-18(26)14-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24/h2-13,18,26H,14-15H2,1H3
InChIKeyPGNOCVUAZQJJQH-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.28
Rot. Bonds6

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide (PubChem CID 2887918) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide
PubChem CID2887918
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-29(27,28)25(17-12-10-16(23)11-13-17)15-18(26)14-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24/h2-13,18,26H,14-15H2,1H3
InChIKeyPGNOCVUAZQJJQH-UHFFFAOYSA-N
XLogP4.28
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide 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 N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide (CID 2887918) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide is CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide?
The InChIKey is PGNOCVUAZQJJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-29(27,28)25(17-12-10-16(23)11-13-17)15-18(26)14-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24/h2-13,18,26H,14-15H2,1H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide has a molecular weight of 428.94 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 2887918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).