N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide

C15H23NO4S — CID 95367533

IUPACN-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)c1
InChIInChI=1S/C15H23NO4S/c1-20-13-8-5-9-14(10-13)21(18,19)16-11-15(17)12-6-3-2-4-7-12/h5,8-10,12,15-17H,2-4,6-7,11H2,1H3/t15-/m0/s1
InChIKeyQJBZRPXYJDPSET-HNNXBMFYSA-N
MW313.42 g/mol
LogP1.91
Rot. Bonds6

About N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide

N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide (PubChem CID 95367533) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide
PubChem CID95367533
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)c1
InChIInChI=1S/C15H23NO4S/c1-20-13-8-5-9-14(10-13)21(18,19)16-11-15(17)12-6-3-2-4-7-12/h5,8-10,12,15-17H,2-4,6-7,11H2,1H3/t15-/m0/s1
InChIKeyQJBZRPXYJDPSET-HNNXBMFYSA-N
XLogP1.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 56764321
3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide
CID 90498860
3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide
CID 75469633
N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56764333
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-2-(3-methoxyphenoxy)acetamide
CID 95983036
N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 115271577
N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide
CID 90498901
N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide
CID 81259105
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
3-methoxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 103153533
N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 90499355
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methoxybenzenesulfonamide
CID 69367593

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide (CID 95367533) is N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)c1.
What is the InChIKey of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide?
The InChIKey is QJBZRPXYJDPSET-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-20-13-8-5-9-14(10-13)21(18,19)16-11-15(17)12-6-3-2-4-7-12/h5,8-10,12,15-17H,2-4,6-7,11H2,1H3/t15-/m0/s1.
What are the key properties of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide?
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 95367533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).