N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide

C34H35N3O4S — CID 98468019

IUPACN-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C34H35N3O4S/c1-25-16-18-29(19-17-25)42(40,41)37(27-11-9-10-26(22-27)34(39)35-20-7-2-8-21-35)24-28(38)23-36-32-14-5-3-12-30(32)31-13-4-6-15-33(31)36/h3-6,9-19,22,28,38H,2,7-8,20-21,23-24H2,1H3/t28-/m1/s1
InChIKeyNEDXTWJOHPNTET-MUUNZHRXSA-N
MW581.74 g/mol
LogP5.99
Rot. Bonds8

About N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide

N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 98468019) has the molecular formula C34H35N3O4S and a molecular weight of 581.74 g/mol. Its IUPAC name is N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID98468019
Molecular FormulaC34H35N3O4S
Molecular Weight581.74 g/mol
Exact Mass581.23
IUPAC NameN-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C34H35N3O4S/c1-25-16-18-29(19-17-25)42(40,41)37(27-11-9-10-26(22-27)34(39)35-20-7-2-8-21-35)24-28(38)23-36-32-14-5-3-12-30(32)31-13-4-6-15-33(31)36/h3-6,9-19,22,28,38H,2,7-8,20-21,23-24H2,1H3/t28-/m1/s1
InChIKeyNEDXTWJOHPNTET-MUUNZHRXSA-N
XLogP5.99
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.74
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]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

N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 983510
3-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide
CID 15991298
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1320921
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 40774094
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 2136151
N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide
CID 44883503
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-methylbenzenesulfonamide
CID 983506
N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide
CID 71945776
3-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]propanoic acid
CID 41476223
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 4282252
N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 1077012
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3151264

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 98468019) is N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2cccc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is NEDXTWJOHPNTET-MUUNZHRXSA-N. The full InChI is InChI=1S/C34H35N3O4S/c1-25-16-18-29(19-17-25)42(40,41)37(27-11-9-10-26(22-27)34(39)35-20-7-2-8-21-35)24-28(38)23-36-32-14-5-3-12-30(32)31-13-4-6-15-33(31)36/h3-6,9-19,22,28,38H,2,7-8,20-21,23-24H2,1H3/t28-/m1/s1.
What are the key properties of N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 581.74 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 98468019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).