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

C14H13BrClNO4S2 — CID 15997139

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1Cl
InChIInChI=1S/C14H13BrClNO4S2/c1-21-11-3-2-9(8-10(11)16)17-13(18)6-7-23(19,20)14-5-4-12(15)22-14/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyMPQNUBSQOQLSFY-UHFFFAOYSA-N
MW438.75 g/mol
LogP3.98
Rot. Bonds6

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

3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide (PubChem CID 15997139) has the molecular formula C14H13BrClNO4S2 and a molecular weight of 438.75 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide
PubChem CID15997139
Molecular FormulaC14H13BrClNO4S2
Molecular Weight438.75 g/mol
Exact Mass436.92
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1Cl
InChIInChI=1S/C14H13BrClNO4S2/c1-21-11-3-2-9(8-10(11)16)17-13(18)6-7-23(19,20)14-5-4-12(15)22-14/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyMPQNUBSQOQLSFY-UHFFFAOYSA-N
XLogP3.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343385
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide
CID 110342661
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide
CID 110423650
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 110428569
(E)-3-(5-bromothiophen-2-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 26822894
N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide
CID 112998367
N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135971
N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 2469868
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2391050

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide (CID 15997139) is 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1Cl.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide?
The InChIKey is MPQNUBSQOQLSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO4S2/c1-21-11-3-2-9(8-10(11)16)17-13(18)6-7-23(19,20)14-5-4-12(15)22-14/h2-5,8H,6-7H2,1H3,(H,17,18).
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide has a molecular weight of 438.75 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 15997139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).