4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide

C14H22N2O3S — CID 62360398

IUPAC4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NC2CCCCC2O)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-15-11-7-9-12(10-8-11)20(18,19)16-13-5-3-4-6-14(13)17/h7-10,13-17H,2-6H2,1H3
InChIKeyUMQMOCZHWHCFFE-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.70
Rot. Bonds5

About 4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide

4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 62360398) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide
PubChem CID62360398
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NC2CCCCC2O)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-15-11-7-9-12(10-8-11)20(18,19)16-13-5-3-4-6-14(13)17/h7-10,13-17H,2-6H2,1H3
InChIKeyUMQMOCZHWHCFFE-UHFFFAOYSA-N
XLogP1.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide
CID 27059218
4-hydrazinyl-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62360200
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylsulfonylbenzenesulfonamide
CID 104953140
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213563
4-(ethylamino)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64915651
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 40650403
N-[(1S,2R)-2-hydroxycyclohexyl]-4-nitrobenzenesulfonamide
CID 40617850
4-(cyanomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922414
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 115329229

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide (CID 62360398) is 4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)NC2CCCCC2O)cc1.
What is the InChIKey of 4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is UMQMOCZHWHCFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-15-11-7-9-12(10-8-11)20(18,19)16-13-5-3-4-6-14(13)17/h7-10,13-17H,2-6H2,1H3.
What are the key properties of 4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide?
4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 62360398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).