N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide

C28H25FN2O3S — CID 40774094

IUPACN-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H25FN2O3S/c1-20-10-14-22(15-11-20)31(35(33,34)24-16-12-21(29)13-17-24)19-23(32)18-30-27-8-4-2-6-25(27)26-7-3-5-9-28(26)30/h2-17,23,32H,18-19H2,1H3/t23-/m0/s1
InChIKeyAYJAGPYZMHVWFE-QHCPKHFHSA-N
MW488.58 g/mol
LogP5.50
Rot. Bonds7

About N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide

N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 40774094) has the molecular formula C28H25FN2O3S and a molecular weight of 488.58 g/mol. Its IUPAC name is N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
PubChem CID40774094
Molecular FormulaC28H25FN2O3S
Molecular Weight488.58 g/mol
Exact Mass488.16
IUPAC NameN-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H25FN2O3S/c1-20-10-14-22(15-11-20)31(35(33,34)24-16-12-21(29)13-17-24)19-23(32)18-30-27-8-4-2-6-25(27)26-7-3-5-9-28(26)30/h2-17,23,32H,18-19H2,1H3/t23-/m0/s1
InChIKeyAYJAGPYZMHVWFE-QHCPKHFHSA-N
XLogP5.50
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1320921
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 983510
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-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 1300584
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-[(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
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-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide
CID 71945528

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide (CID 40774094) is N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is AYJAGPYZMHVWFE-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H25FN2O3S/c1-20-10-14-22(15-11-20)31(35(33,34)24-16-12-21(29)13-17-24)19-23(32)18-30-27-8-4-2-6-25(27)26-7-3-5-9-28(26)30/h2-17,23,32H,18-19H2,1H3/t23-/m0/s1.
What are the key properties of N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 488.58 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 40774094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).