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

C13H10BrClFNO3S2 — CID 4104416

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C13H10BrClFNO3S2/c14-11-3-4-13(21-11)22(19,20)6-5-12(18)17-10-2-1-8(16)7-9(10)15/h1-4,7H,5-6H2,(H,17,18)
InChIKeyJQOCZZBQEIISDM-UHFFFAOYSA-N
MW426.72 g/mol
LogP4.11
Rot. Bonds5

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

3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide (PubChem CID 4104416) has the molecular formula C13H10BrClFNO3S2 and a molecular weight of 426.72 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide
PubChem CID4104416
Molecular FormulaC13H10BrClFNO3S2
Molecular Weight426.72 g/mol
Exact Mass424.90
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C13H10BrClFNO3S2/c14-11-3-4-13(21-11)22(19,20)6-5-12(18)17-10-2-1-8(16)7-9(10)15/h1-4,7H,5-6H2,(H,17,18)
InChIKeyJQOCZZBQEIISDM-UHFFFAOYSA-N
XLogP4.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.72
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide (CID 4104416) is 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(F)cc1Cl.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide?
The InChIKey is JQOCZZBQEIISDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO3S2/c14-11-3-4-13(21-11)22(19,20)6-5-12(18)17-10-2-1-8(16)7-9(10)15/h1-4,7H,5-6H2,(H,17,18).
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide has a molecular weight of 426.72 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 4104416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).