4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide

C16H23ClN2O3S — CID 1167612

IUPAC4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h5-8,15-16,18H,1-4,9-12H2/t15-,16+/m0/s1
InChIKeyAYQCZQKMGKDZPS-JKSUJKDBSA-N
MW358.89 g/mol
LogP2.26
Rot. Bonds4

About 4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide

4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide (PubChem CID 1167612) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide
PubChem CID1167612
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h5-8,15-16,18H,1-4,9-12H2/t15-,16+/m0/s1
InChIKeyAYQCZQKMGKDZPS-JKSUJKDBSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide
CID 3148616
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 23604963
4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 92669885
4-chloro-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784722
N-[(1S,2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohexyl]-4-chlorobenzenesulfonamide
CID 92669889
N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604938
4-fluoro-N-(4-morpholin-4-yloxolan-3-yl)benzenesulfonamide
CID 156609589
N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784679
N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide
CID 155770202
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide
CID 6972183

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide (CID 1167612) is 4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide is O=S(=O)(N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide?
The InChIKey is AYQCZQKMGKDZPS-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h5-8,15-16,18H,1-4,9-12H2/t15-,16+/m0/s1.
What are the key properties of 4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide?
4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide has a molecular weight of 358.89 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 1167612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).