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

C14H13BrClNO4S2 — CID 22427344

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H13BrClNO4S2/c1-21-11-3-2-9(16)8-10(11)17-13(18)6-7-23(19,20)14-5-4-12(15)22-14/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyQOKOAFINIZXFSY-UHFFFAOYSA-N
MW438.75 g/mol
LogP3.98
Rot. Bonds6

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

3-(5-bromothiophen-2-yl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 22427344) 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-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID22427344
Molecular FormulaC14H13BrClNO4S2
Molecular Weight438.75 g/mol
Exact Mass436.92
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H13BrClNO4S2/c1-21-11-3-2-9(16)8-10(11)17-13(18)6-7-23(19,20)14-5-4-12(15)22-14/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyQOKOAFINIZXFSY-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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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide (CID 22427344) is 3-(5-bromothiophen-2-yl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is QOKOAFINIZXFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO4S2/c1-21-11-3-2-9(16)8-10(11)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-(5-chloro-2-methoxyphenyl)propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-(5-chloro-2-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-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 22427344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).