3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide

C13H10BrF2NO3S2 — CID 5243553

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1cc(F)ccc1F
InChIInChI=1S/C13H10BrF2NO3S2/c14-11-3-4-13(21-11)22(19,20)6-5-12(18)17-10-7-8(15)1-2-9(10)16/h1-4,7H,5-6H2,(H,17,18)
InChIKeyKEVSJFJQPNVVHQ-UHFFFAOYSA-N
MW410.26 g/mol
LogP3.59
Rot. Bonds5

About 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide

3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide (PubChem CID 5243553) has the molecular formula C13H10BrF2NO3S2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide
PubChem CID5243553
Molecular FormulaC13H10BrF2NO3S2
Molecular Weight410.26 g/mol
Exact Mass408.93
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1cc(F)ccc1F
InChIInChI=1S/C13H10BrF2NO3S2/c14-11-3-4-13(21-11)22(19,20)6-5-12(18)17-10-7-8(15)1-2-9(10)16/h1-4,7H,5-6H2,(H,17,18)
InChIKeyKEVSJFJQPNVVHQ-UHFFFAOYSA-N
XLogP3.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
5-bromo-N-(2,5-difluorophenyl)pentanamide
CID 103601723
3-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)propanamide
CID 15997659
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
CID 26360943
5-bromo-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 113231173
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387880
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
CID 134059340
1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
CID 46860014
N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101953
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149171

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide (CID 5243553) is 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1cc(F)ccc1F.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide?
The InChIKey is KEVSJFJQPNVVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO3S2/c14-11-3-4-13(21-11)22(19,20)6-5-12(18)17-10-7-8(15)1-2-9(10)16/h1-4,7H,5-6H2,(H,17,18).
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-(2,5-difluorophenyl)propanamide has a molecular weight of 410.26 g/mol, XLogP of 3.59, 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-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 5243553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).