N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide

C15H23FN2O3S — CID 120710803

IUPACN-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(CN)C2CCCCC2)ccc1F
InChIInChI=1S/C15H23FN2O3S/c1-21-15-9-12(7-8-13(15)16)22(19,20)18-14(10-17)11-5-3-2-4-6-11/h7-9,11,14,18H,2-6,10,17H2,1H3
InChIKeyZNIHKLJYBPJBIE-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.02
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide

N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 120710803) has the molecular formula C15H23FN2O3S and a molecular weight of 330.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID120710803
Molecular FormulaC15H23FN2O3S
Molecular Weight330.42 g/mol
Exact Mass330.14
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(CN)C2CCCCC2)ccc1F
InChIInChI=1S/C15H23FN2O3S/c1-21-15-9-12(7-8-13(15)16)22(19,20)18-14(10-17)11-5-3-2-4-6-11/h7-9,11,14,18H,2-6,10,17H2,1H3
InChIKeyZNIHKLJYBPJBIE-UHFFFAOYSA-N
XLogP2.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119983591
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide;hydrochloride
CID 119983590
N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide
CID 119983507
N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide
CID 119983686
N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120584913
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119986999
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326
1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839107
N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 120713602

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide (CID 120710803) is N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NC(CN)C2CCCCC2)ccc1F.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is ZNIHKLJYBPJBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-21-15-9-12(7-8-13(15)16)22(19,20)18-14(10-17)11-5-3-2-4-6-11/h7-9,11,14,18H,2-6,10,17H2,1H3.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide?
N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 330.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 120710803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).