N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide

C30H30N2O3S — CID 2136151

IUPACN-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2c(C)cccc2C)cc1
InChIInChI=1S/C30H30N2O3S/c1-21-15-17-25(18-16-21)36(34,35)32(30-22(2)9-8-10-23(30)3)20-24(33)19-31-28-13-6-4-11-26(28)27-12-5-7-14-29(27)31/h4-18,24,33H,19-20H2,1-3H3/t24-/m1/s1
InChIKeyCSLVEAJQHJMEKF-XMMPIXPASA-N
MW498.65 g/mol
LogP5.98
Rot. Bonds7

About N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide

N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide (PubChem CID 2136151) has the molecular formula C30H30N2O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
PubChem CID2136151
Molecular FormulaC30H30N2O3S
Molecular Weight498.65 g/mol
Exact Mass498.20
IUPAC NameN-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2c(C)cccc2C)cc1
InChIInChI=1S/C30H30N2O3S/c1-21-15-17-25(18-16-21)36(34,35)32(30-22(2)9-8-10-23(30)3)20-24(33)19-31-28-13-6-4-11-26(28)27-12-5-7-14-29(27)31/h4-18,24,33H,19-20H2,1-3H3/t24-/m1/s1
InChIKeyCSLVEAJQHJMEKF-XMMPIXPASA-N
XLogP5.98
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 983510
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-ethyl-4-methylbenzenesulfonamide
CID 983506
N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide
CID 44883503
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
3-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide
CID 15991298
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 98468019
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 983501
N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide
CID 71945776
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 1300584

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide (CID 2136151) is N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2c(C)cccc2C)cc1.
What is the InChIKey of N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is CSLVEAJQHJMEKF-XMMPIXPASA-N. The full InChI is InChI=1S/C30H30N2O3S/c1-21-15-17-25(18-16-21)36(34,35)32(30-22(2)9-8-10-23(30)3)20-24(33)19-31-28-13-6-4-11-26(28)27-12-5-7-14-29(27)31/h4-18,24,33H,19-20H2,1-3H3/t24-/m1/s1.
What are the key properties of N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide?
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 498.65 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 2136151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).