N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide

C16H16BrFN2O3S — CID 133255156

IUPACN-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NC(CC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C16H16BrFN2O3S/c1-24(22,23)20-15(11-5-7-13(18)8-6-11)10-16(21)19-14-4-2-3-12(17)9-14/h2-9,15,20H,10H2,1H3,(H,19,21)
InChIKeyRQVYYVLYPCQGHE-UHFFFAOYSA-N
MW415.28 g/mol
LogP3.21
Rot. Bonds6

About N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide

N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide (PubChem CID 133255156) has the molecular formula C16H16BrFN2O3S and a molecular weight of 415.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
PubChem CID133255156
Molecular FormulaC16H16BrFN2O3S
Molecular Weight415.28 g/mol
Exact Mass414.00
IUPAC NameN-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NC(CC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C16H16BrFN2O3S/c1-24(22,23)20-15(11-5-7-13(18)8-6-11)10-16(21)19-14-4-2-3-12(17)9-14/h2-9,15,20H,10H2,1H3,(H,19,21)
InChIKeyRQVYYVLYPCQGHE-UHFFFAOYSA-N
XLogP3.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783711
N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255165
(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 100783011
(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783706
(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783006
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide
CID 133255173
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100784306
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783017
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide
CID 133255204
N-(1,2-benzothiazol-5-yl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255091
ethyl 4-[[(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanoyl]amino]benzoate
CID 100783152

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide (CID 133255156) is N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide is CS(=O)(=O)NC(CC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The InChIKey is RQVYYVLYPCQGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3S/c1-24(22,23)20-15(11-5-7-13(18)8-6-11)10-16(21)19-14-4-2-3-12(17)9-14/h2-9,15,20H,10H2,1H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide has a molecular weight of 415.28 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 133255156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).