N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide

C29H28N2O3S — CID 3122846

IUPACN-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C29H28N2O3S/c1-22-15-17-25(18-16-22)35(33,34)30(19-23-9-3-2-4-10-23)20-24(32)21-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,24,32H,19-21H2,1H3
InChIKeyDYDLOWGVDJCVOV-UHFFFAOYSA-N
MW484.62 g/mol
LogP5.35
Rot. Bonds8

About N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide

N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide (PubChem CID 3122846) has the molecular formula C29H28N2O3S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide
PubChem CID3122846
Molecular FormulaC29H28N2O3S
Molecular Weight484.62 g/mol
Exact Mass484.18
IUPAC NameN-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C29H28N2O3S/c1-22-15-17-25(18-16-22)35(33,34)30(19-23-9-3-2-4-10-23)20-24(32)21-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,24,32H,19-21H2,1H3
InChIKeyDYDLOWGVDJCVOV-UHFFFAOYSA-N
XLogP5.35
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide 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-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide (CID 3122846) is N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(O)Cn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide?
The InChIKey is DYDLOWGVDJCVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3S/c1-22-15-17-25(18-16-22)35(33,34)30(19-23-9-3-2-4-10-23)20-24(32)21-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,24,32H,19-21H2,1H3.
What are the key properties of N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide?
N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide has a molecular weight of 484.62 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3122846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).