N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride

C16H24ClFN2O3S — CID 119475342

IUPACN-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1CCC(N)CC1)S(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C16H23FN2O3S.ClH/c1-11(23(21,22)15-8-2-12(17)3-9-15)10-16(20)19-14-6-4-13(18)5-7-14;/h2-3,8-9,11,13-14H,4-7,10,18H2,1H3,(H,19,20);1H
InChIKeyNZMPCEPZKMORKZ-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.19
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride

N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride (PubChem CID 119475342) has the molecular formula C16H24ClFN2O3S and a molecular weight of 378.90 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
PubChem CID119475342
Molecular FormulaC16H24ClFN2O3S
Molecular Weight378.90 g/mol
Exact Mass378.12
IUPAC NameN-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1CCC(N)CC1)S(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C16H23FN2O3S.ClH/c1-11(23(21,22)15-8-2-12(17)3-9-15)10-16(20)19-14-6-4-13(18)5-7-14;/h2-3,8-9,11,13-14H,4-7,10,18H2,1H3,(H,19,20);1H
InChIKeyNZMPCEPZKMORKZ-UHFFFAOYSA-N
XLogP2.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
CID 119619656
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)sulfonylbutan-1-one;hydrochloride
CID 119410098
N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
CID 119565593
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(4-fluorophenyl)sulfonylbutanamide
CID 86965350
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylbutan-1-one
CID 119622399
N-(4-aminocyclohexyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
CID 119478124
N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide
CID 44588347
N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride
CID 119475413
N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
CID 18133694
N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119477343
N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
CID 126459449
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride (CID 119475342) is N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride is CC(CC(=O)NC1CCC(N)CC1)S(=O)(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride?
The InChIKey is NZMPCEPZKMORKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S.ClH/c1-11(23(21,22)15-8-2-12(17)3-9-15)10-16(20)19-14-6-4-13(18)5-7-14;/h2-3,8-9,11,13-14H,4-7,10,18H2,1H3,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride is sourced from PubChem (CID 119475342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).