3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide

C16H23NO4S — CID 90498860

IUPAC3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(O)C2CCCCC2)c1
InChIInChI=1S/C16H23NO4S/c1-12(18)14-8-5-9-15(10-14)22(20,21)17-11-16(19)13-6-3-2-4-7-13/h5,8-10,13,16-17,19H,2-4,6-7,11H2,1H3
InChIKeyINCZFBSESIDXJP-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.11
Rot. Bonds6

About 3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide

3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide (PubChem CID 90498860) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide
PubChem CID90498860
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(O)C2CCCCC2)c1
InChIInChI=1S/C16H23NO4S/c1-12(18)14-8-5-9-15(10-14)22(20,21)17-11-16(19)13-6-3-2-4-7-13/h5,8-10,13,16-17,19H,2-4,6-7,11H2,1H3
InChIKeyINCZFBSESIDXJP-UHFFFAOYSA-N
XLogP2.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide
CID 95367533
N-(2-cyclohexyl-2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 56764321
3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide
CID 75469633
N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56764333
3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402958
3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
3-acetyl-N-(2,2-diethoxyethyl)benzenesulfonamide
CID 78907733
3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663554
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
CID 103838022
5-[(3-acetylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82013121
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide
CID 95367551

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide (CID 90498860) is 3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCC(O)C2CCCCC2)c1.
What is the InChIKey of 3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide?
The InChIKey is INCZFBSESIDXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-12(18)14-8-5-9-15(10-14)22(20,21)17-11-16(19)13-6-3-2-4-7-13/h5,8-10,13,16-17,19H,2-4,6-7,11H2,1H3.
What are the key properties of 3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide?
3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 90498860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).