(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide

C15H13BrF2N2O3S — CID 42561544

IUPAC(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H13BrF2N2O3S/c1-9(15(21)19-14-7-2-10(16)8-13(14)18)20-24(22,23)12-5-3-11(17)4-6-12/h2-9,20H,1H3,(H,19,21)/t9-/m0/s1
InChIKeyCOJYHYDWHJDURZ-VIFPVBQESA-N
MW419.25 g/mol
LogP3.03
Rot. Bonds5

About (2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide

(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 42561544) has the molecular formula C15H13BrF2N2O3S and a molecular weight of 419.25 g/mol. Its IUPAC name is (2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID42561544
Molecular FormulaC15H13BrF2N2O3S
Molecular Weight419.25 g/mol
Exact Mass417.98
IUPAC Name(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H13BrF2N2O3S/c1-9(15(21)19-14-7-2-10(16)8-13(14)18)20-24(22,23)12-5-3-11(17)4-6-12/h2-9,20H,1H3,(H,19,21)/t9-/m0/s1
InChIKeyCOJYHYDWHJDURZ-VIFPVBQESA-N
XLogP3.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.25
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-bromo-2-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 41331452
(2S)-N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7924414
(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124549862
N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3943319
(2S)-N-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7366747
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-difluorophenyl)propanamide
CID 28549159
2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide
CID 3652587
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 41330979
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 41168290
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 3660205

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide (CID 42561544) is (2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of (2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is COJYHYDWHJDURZ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13BrF2N2O3S/c1-9(15(21)19-14-7-2-10(16)8-13(14)18)20-24(22,23)12-5-3-11(17)4-6-12/h2-9,20H,1H3,(H,19,21)/t9-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide?
(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 419.25 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 42561544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).