4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide

C24H21Cl3N2O3S — CID 155061442

IUPAC4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCC(n2c3ccc(Cl)cc3c3cc(Cl)ccc32)[C@H]1O)c1ccc(Cl)cc1
InChIInChI=1S/C24H21Cl3N2O3S/c25-14-4-8-17(9-5-14)33(31,32)28-20-2-1-3-23(24(20)30)29-21-10-6-15(26)12-18(21)19-13-16(27)7-11-22(19)29/h4-13,20,23-24,28,30H,1-3H2/t20?,23?,24-/m0/s1
InChIKeyDSTMXQOXYXDUJL-BOYUCYPVSA-N
MW523.87 g/mol
LogP6.19
Rot. Bonds4

About 4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide

4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide (PubChem CID 155061442) has the molecular formula C24H21Cl3N2O3S and a molecular weight of 523.87 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide
PubChem CID155061442
Molecular FormulaC24H21Cl3N2O3S
Molecular Weight523.87 g/mol
Exact Mass522.03
IUPAC Name4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCC(n2c3ccc(Cl)cc3c3cc(Cl)ccc32)[C@H]1O)c1ccc(Cl)cc1
InChIInChI=1S/C24H21Cl3N2O3S/c25-14-4-8-17(9-5-14)33(31,32)28-20-2-1-3-23(24(20)30)29-21-10-6-15(26)12-18(21)19-13-16(27)7-11-22(19)29/h4-13,20,23-24,28,30H,1-3H2/t20?,23?,24-/m0/s1
InChIKeyDSTMXQOXYXDUJL-BOYUCYPVSA-N
XLogP6.19
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.87
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[S-(4-chlorophenyl)-N-methylsulfonimidoyl]amino]-6-(3,6-dibromocarbazol-9-yl)cyclohexan-1-ol
CID 166592675
N-[(2R)-3-(3,6-dicyanocarbazol-9-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 134403567
N-[(1R,2R)-3-(3-fluorocarbazol-9-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 134402065
tert-butyl (3S,4R,5R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126693842
tert-butyl (3R,4R,5R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 135316019
2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol
CID 166592581
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
N-[(1R,2R,3S)-3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclohexyl]benzenesulfonamide;N-[(1S,2S,3R)-3-carbazol-9-yl-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;tetrakis(N-[(1R,2R,3S)-3-carbazol-9-yl-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide);N-[(1R,2R)-3-carbazol-9-yl-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-methylbenzenesulfonamide;N-[(1S,2S,3S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-methylbenzenesulfonamide;N-[(1S,2S,3R)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-methylbenzenesulfonamide
CID 161192214
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide
CID 1167612
4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide
CID 3148616
3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide
CID 110127873

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide (CID 155061442) is 4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCCC(n2c3ccc(Cl)cc3c3cc(Cl)ccc32)[C@H]1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide?
The InChIKey is DSTMXQOXYXDUJL-BOYUCYPVSA-N. The full InChI is InChI=1S/C24H21Cl3N2O3S/c25-14-4-8-17(9-5-14)33(31,32)28-20-2-1-3-23(24(20)30)29-21-10-6-15(26)12-18(21)19-13-16(27)7-11-22(19)29/h4-13,20,23-24,28,30H,1-3H2/t20?,23?,24-/m0/s1.
What are the key properties of 4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide?
4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide has a molecular weight of 523.87 g/mol, XLogP of 6.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxycyclohexyl]benzenesulfonamide is sourced from PubChem (CID 155061442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).