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

C16H16BrFN2O4S — CID 3943319

IUPACN-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H16BrFN2O4S/c1-10(16(21)19-15-8-3-11(17)9-14(15)18)20-25(22,23)13-6-4-12(24-2)5-7-13/h3-10,20H,1-2H3,(H,19,21)
InChIKeyHUIVVPSEYBMXHJ-UHFFFAOYSA-N
MW431.28 g/mol
LogP2.90
Rot. Bonds6

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

N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 3943319) has the molecular formula C16H16BrFN2O4S and a molecular weight of 431.28 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID3943319
Molecular FormulaC16H16BrFN2O4S
Molecular Weight431.28 g/mol
Exact Mass430.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H16BrFN2O4S/c1-10(16(21)19-15-8-3-11(17)9-14(15)18)20-25(22,23)13-6-4-12(24-2)5-7-13/h3-10,20H,1-2H3,(H,19,21)
InChIKeyHUIVVPSEYBMXHJ-UHFFFAOYSA-N
XLogP2.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124549862
(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 42561544
(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
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55937037
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
(2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473390
(2R)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473389
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 1254747
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 126212362

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 3943319) is N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is HUIVVPSEYBMXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O4S/c1-10(16(21)19-15-8-3-11(17)9-14(15)18)20-25(22,23)13-6-4-12(24-2)5-7-13/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 431.28 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 3943319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).