3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide

C15H13BrCl2N2O3S — CID 17192422

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl2N2O3S/c16-10-4-6-11(7-5-10)24(22,23)19-9-8-14(21)20-13-3-1-2-12(17)15(13)18/h1-7,19H,8-9H2,(H,20,21)
InChIKeyOWBCTBUIDDHVPS-UHFFFAOYSA-N
MW452.16 g/mol
LogP4.06
Rot. Bonds6

About 3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide

3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide (PubChem CID 17192422) has the molecular formula C15H13BrCl2N2O3S and a molecular weight of 452.16 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide
PubChem CID17192422
Molecular FormulaC15H13BrCl2N2O3S
Molecular Weight452.16 g/mol
Exact Mass449.92
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl2N2O3S/c16-10-4-6-11(7-5-10)24(22,23)19-9-8-14(21)20-13-3-1-2-12(17)15(13)18/h1-7,19H,8-9H2,(H,20,21)
InChIKeyOWBCTBUIDDHVPS-UHFFFAOYSA-N
XLogP4.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.16
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192926
3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 17192350
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192162
2-(4-bromophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 1346170
3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide
CID 17192424
N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192157
N-(2,3-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3998601
N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17225649
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24547916
3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192375
3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 26687643

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide (CID 17192422) is 3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is OWBCTBUIDDHVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O3S/c16-10-4-6-11(7-5-10)24(22,23)19-9-8-14(21)20-13-3-1-2-12(17)15(13)18/h1-7,19H,8-9H2,(H,20,21).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide has a molecular weight of 452.16 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 17192422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).