N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide

C27H26N2O4S — CID 983501

IUPACN-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccco2)C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C27H26N2O4S/c1-20-12-14-23(15-13-20)34(31,32)28(19-22-7-6-16-33-22)17-21(30)18-29-26-10-4-2-8-24(26)25-9-3-5-11-27(25)29/h2-16,21,30H,17-19H2,1H3/t21-/m0/s1
InChIKeyBAYVKBSYCYFVRS-NRFANRHFSA-N
MW474.58 g/mol
LogP4.95
Rot. Bonds8

About N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide

N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (PubChem CID 983501) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
PubChem CID983501
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC NameN-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccco2)C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C27H26N2O4S/c1-20-12-14-23(15-13-20)34(31,32)28(19-22-7-6-16-33-22)17-21(30)18-29-26-10-4-2-8-24(26)25-9-3-5-11-27(25)29/h2-16,21,30H,17-19H2,1H3/t21-/m0/s1
InChIKeyBAYVKBSYCYFVRS-NRFANRHFSA-N
XLogP4.95
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 1367681
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-methylbenzenesulfonamide
CID 983506
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 4282252
3-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]propanoic acid
CID 41476223
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-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1320921
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 1300584
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 40774094
4-chloro-N-(furan-2-ylmethyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]benzenesulfonamide
CID 18590176
4-bromo-N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 1296457
N-[4-[3-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropoxy]phenyl]-N-methylacetamide
CID 2950375

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (CID 983501) is N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccco2)C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is BAYVKBSYCYFVRS-NRFANRHFSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-20-12-14-23(15-13-20)34(31,32)28(19-22-7-6-16-33-22)17-21(30)18-29-26-10-4-2-8-24(26)25-9-3-5-11-27(25)29/h2-16,21,30H,17-19H2,1H3/t21-/m0/s1.
What are the key properties of N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 474.58 g/mol, XLogP of 4.95, 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]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 983501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).