N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide

C17H18ClFN2O3S — CID 110499179

IUPACN-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H18ClFN2O3S/c1-3-15(17(22)20-16-10-12(18)5-4-11(16)2)21-25(23,24)14-8-6-13(19)7-9-14/h4-10,15,21H,3H2,1-2H3,(H,20,22)
InChIKeyIFIKEIYONXXHDX-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.48
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide

N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide (PubChem CID 110499179) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
PubChem CID110499179
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H18ClFN2O3S/c1-3-15(17(22)20-16-10-12(18)5-4-11(16)2)21-25(23,24)14-8-6-13(19)7-9-14/h4-10,15,21H,3H2,1-2H3,(H,20,22)
InChIKeyIFIKEIYONXXHDX-UHFFFAOYSA-N
XLogP3.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499244
N-[4-(diethylamino)-2-methylphenyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499213
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499158
(2S)-N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540746
2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide
CID 110499336
2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 110502529
N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 29411176
2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide
CID 50740270
(2S)-N-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7366747
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
CID 110502528
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide
CID 28540720
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 92645922

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide (CID 110499179) is N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide is CCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The InChIKey is IFIKEIYONXXHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-3-15(17(22)20-16-10-12(18)5-4-11(16)2)21-25(23,24)14-8-6-13(19)7-9-14/h4-10,15,21H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide?
N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide has a molecular weight of 384.86 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide is sourced from PubChem (CID 110499179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).