3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide

C16H15BrClNO4S — CID 4104685

IUPAC3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrClNO4S/c1-23-15-7-4-12(18)10-14(15)19-16(20)8-9-24(21,22)13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyNIABXQNAUHOSTJ-UHFFFAOYSA-N
MW432.72 g/mol
LogP3.91
Rot. Bonds6

About 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 4104685) has the molecular formula C16H15BrClNO4S and a molecular weight of 432.72 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID4104685
Molecular FormulaC16H15BrClNO4S
Molecular Weight432.72 g/mol
Exact Mass430.96
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrClNO4S/c1-23-15-7-4-12(18)10-14(15)19-16(20)8-9-24(21,22)13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyNIABXQNAUHOSTJ-UHFFFAOYSA-N
XLogP3.91
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.72
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 4109093
2-[(4-bromophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486385
2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
CID 650645
N-(5-chloro-2-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20927750
N-(5-chloro-2-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]propanamide
CID 4101947
3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide
CID 4293594
3-[(5-Bromothiophen-2-YL)sulfonyl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 22427344
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenylthio)acetamide
CID 734040
3-[(4-chlorophenyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 956939
Cambridge id 6221521
CID 1095292
Cambridge id 7040623
CID 1330064
Cambridge id 7095855
CID 1331698

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide (CID 4104685) is 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is NIABXQNAUHOSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO4S/c1-23-15-7-4-12(18)10-14(15)19-16(20)8-9-24(21,22)13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 432.72 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 4104685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).