(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide

C15H13BrClFN2O3S — CID 41168290

IUPAC(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13BrClFN2O3S/c1-9(15(21)19-11-4-7-14(18)13(17)8-11)20-24(22,23)12-5-2-10(16)3-6-12/h2-9,20H,1H3,(H,19,21)/t9-/m0/s1
InChIKeyRLHHNDTXLKCIRZ-VIFPVBQESA-N
MW435.70 g/mol
LogP3.55
Rot. Bonds5

About (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 41168290) has the molecular formula C15H13BrClFN2O3S and a molecular weight of 435.70 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
PubChem CID41168290
Molecular FormulaC15H13BrClFN2O3S
Molecular Weight435.70 g/mol
Exact Mass433.95
IUPAC Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13BrClFN2O3S/c1-9(15(21)19-11-4-7-14(18)13(17)8-11)20-24(22,23)12-5-2-10(16)3-6-12/h2-9,20H,1H3,(H,19,21)/t9-/m0/s1
InChIKeyRLHHNDTXLKCIRZ-VIFPVBQESA-N
XLogP3.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.70
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 1263361
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 41330979
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 984233
2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide
CID 3652587
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide (CID 41168290) is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide is C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is RLHHNDTXLKCIRZ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13BrClFN2O3S/c1-9(15(21)19-11-4-7-14(18)13(17)8-11)20-24(22,23)12-5-2-10(16)3-6-12/h2-9,20H,1H3,(H,19,21)/t9-/m0/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide?
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 435.70 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 41168290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).