5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide

C13H13BrClNO2S2 — CID 80578542

IUPAC5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H13BrClNO2S2/c1-3-16(10-6-4-5-9(2)7-10)20(17,18)12-8-11(15)13(14)19-12/h4-8H,3H2,1-2H3
InChIKeyYJJIHGUBJNVVGZ-UHFFFAOYSA-N
MW394.74 g/mol
LogP4.69
Rot. Bonds4

About 5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide (PubChem CID 80578542) has the molecular formula C13H13BrClNO2S2 and a molecular weight of 394.74 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
PubChem CID80578542
Molecular FormulaC13H13BrClNO2S2
Molecular Weight394.74 g/mol
Exact Mass392.93
IUPAC Name5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H13BrClNO2S2/c1-3-16(10-6-4-5-9(2)7-10)20(17,18)12-8-11(15)13(14)19-12/h4-8H,3H2,1-2H3
InChIKeyYJJIHGUBJNVVGZ-UHFFFAOYSA-N
XLogP4.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.74
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485793
5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485815
N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide
CID 100551123
N-(4-aminophenyl)-5-bromo-4-chloro-N-propylthiophene-2-sulfonamide
CID 80576694
N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide
CID 63229626
4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3480168
N-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 20936222
5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide
CID 103768575
N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 68656573
N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 3672777
5-bromo-4-chloro-N-[2-(3-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 80579950
4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 60639715

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide (CID 80578542) is 5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is YJJIHGUBJNVVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO2S2/c1-3-16(10-6-4-5-9(2)7-10)20(17,18)12-8-11(15)13(14)19-12/h4-8H,3H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 394.74 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80578542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).