cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide

C23H29ClN2O4S — CID 11419902

IUPACcis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide
SMILESCC(C)(O)c1ccc(CN([C@@H]2CCCC[C@@H]2C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H29ClN2O4S/c1-23(2,28)17-9-7-16(8-10-17)15-26(21-6-4-3-5-20(21)22(25)27)31(29,30)19-13-11-18(24)12-14-19/h7-14,20-21,28H,3-6,15H2,1-2H3,(H2,25,27)/t20-,21+/m0/s1
InChIKeyVPPMEJZCKLBIMO-LEWJYISDSA-N
MW465.02 g/mol
LogP3.80
Rot. Bonds7

About cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide

cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide (PubChem CID 11419902) has the molecular formula C23H29ClN2O4S and a molecular weight of 465.02 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide
PubChem CID11419902
Molecular FormulaC23H29ClN2O4S
Molecular Weight465.02 g/mol
Exact Mass464.15
IUPAC Namecis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide
SMILESCC(C)(O)c1ccc(CN([C@@H]2CCCC[C@@H]2C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H29ClN2O4S/c1-23(2,28)17-9-7-16(8-10-17)15-26(21-6-4-3-5-20(21)22(25)27)31(29,30)19-13-11-18(24)12-14-19/h7-14,20-21,28H,3-6,15H2,1-2H3,(H2,25,27)/t20-,21+/m0/s1
InChIKeyVPPMEJZCKLBIMO-LEWJYISDSA-N
XLogP3.80
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide
CID 90892860
4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(4-hydroxy-3-methyl-3-sulfanylbutan-2-yl)benzamide
CID 123159465
4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]benzenesulfonamide
CID 66669609
4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78107818
4-[[(4-chlorophenyl)sulfonyl-(2-fluorocyclohexyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 71550548
cis-(1S,2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid;hydroxylamine
CID 70098521
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide
CID 87374442
4-chloro-N-[(1S,2R)-2-(hydroxymethyl)cycloheptyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 67314555
4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]benzenesulfonamide
CID 141280571
4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]benzamide
CID 18455227
4-chloro-N-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 67314498
4-chloro-N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide
CID 67315189

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide (CID 11419902) is cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide is CC(C)(O)c1ccc(CN([C@@H]2CCCC[C@@H]2C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide?
The InChIKey is VPPMEJZCKLBIMO-LEWJYISDSA-N. The full InChI is InChI=1S/C23H29ClN2O4S/c1-23(2,28)17-9-7-16(8-10-17)15-26(21-6-4-3-5-20(21)22(25)27)31(29,30)19-13-11-18(24)12-14-19/h7-14,20-21,28H,3-6,15H2,1-2H3,(H2,25,27)/t20-,21+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide?
cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide has a molecular weight of 465.02 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 11419902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).