N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide

C16H15Cl2FN2O3S — CID 133255165

IUPACN-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NC(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15Cl2FN2O3S/c1-25(23,24)21-15(10-2-4-11(19)5-3-10)9-16(22)20-12-6-7-13(17)14(18)8-12/h2-8,15,21H,9H2,1H3,(H,20,22)
InChIKeyDRGSGIDBTUUZNR-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.75
Rot. Bonds6

About N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide

N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide (PubChem CID 133255165) has the molecular formula C16H15Cl2FN2O3S and a molecular weight of 405.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
PubChem CID133255165
Molecular FormulaC16H15Cl2FN2O3S
Molecular Weight405.28 g/mol
Exact Mass404.02
IUPAC NameN-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NC(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15Cl2FN2O3S/c1-25(23,24)21-15(10-2-4-11(19)5-3-10)9-16(22)20-12-6-7-13(17)14(18)8-12/h2-8,15,21H,9H2,1H3,(H,20,22)
InChIKeyDRGSGIDBTUUZNR-UHFFFAOYSA-N
XLogP3.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 100783011
(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783006
N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255156
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
N-(1,2-benzothiazol-5-yl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255091
N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 133255322
ethyl 4-[[(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanoyl]amino]benzoate
CID 100783152
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide
CID 133255173
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783706
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide
CID 133255204
(3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782888

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide (CID 133255165) is N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide is CS(=O)(=O)NC(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The InChIKey is DRGSGIDBTUUZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O3S/c1-25(23,24)21-15(10-2-4-11(19)5-3-10)9-16(22)20-12-6-7-13(17)14(18)8-12/h2-8,15,21H,9H2,1H3,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide has a molecular weight of 405.28 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 133255165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).