3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide

C10H12ClFN2O3S — CID 47062283

IUPAC3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O3S/c1-13-10(15)4-5-14-18(16,17)9-3-2-7(11)6-8(9)12/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyWXYHMFPWZWBUPW-UHFFFAOYSA-N
MW294.74 g/mol
LogP0.89
Rot. Bonds5

About 3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide

3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 47062283) has the molecular formula C10H12ClFN2O3S and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID47062283
Molecular FormulaC10H12ClFN2O3S
Molecular Weight294.74 g/mol
Exact Mass294.02
IUPAC Name3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O3S/c1-13-10(15)4-5-14-18(16,17)9-3-2-7(11)6-8(9)12/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyWXYHMFPWZWBUPW-UHFFFAOYSA-N
XLogP0.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate
CID 47121966
3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-cyclohexylpropanamide
CID 55914836
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47305418
4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716073
4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616583
3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 62955849
3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43361136
3-(4-chloroanilino)-N-methylpropanamide
CID 10899951
4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755068
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
CID 61059689

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide (CID 47062283) is 3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is WXYHMFPWZWBUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O3S/c1-13-10(15)4-5-14-18(16,17)9-3-2-7(11)6-8(9)12/h2-3,6,14H,4-5H2,1H3,(H,13,15).
What are the key properties of 3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide?
3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 294.74 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 47062283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).