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

C11H9BrClNO2S3 — CID 80578749

IUPAC5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C11H9BrClNO2S3/c1-17-8-4-2-3-7(5-8)14-19(15,16)10-6-9(13)11(12)18-10/h2-6,14H,1H3
InChIKeyDIICIDDZSDYOGF-UHFFFAOYSA-N
MW398.76 g/mol
LogP4.69
Rot. Bonds4

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

5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide (PubChem CID 80578749) has the molecular formula C11H9BrClNO2S3 and a molecular weight of 398.76 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
PubChem CID80578749
Molecular FormulaC11H9BrClNO2S3
Molecular Weight398.76 g/mol
Exact Mass396.87
IUPAC Name5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C11H9BrClNO2S3/c1-17-8-4-2-3-7(5-8)14-19(15,16)10-6-9(13)11(12)18-10/h2-6,14H,1H3
InChIKeyDIICIDDZSDYOGF-UHFFFAOYSA-N
XLogP4.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.76
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577855
5-bromo-4-chloro-N-[3-[(dimethylamino)methyl]phenyl]thiophene-2-sulfonamide
CID 80578453
5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
CID 80578716
5-bromo-4-chloro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-2-sulfonamide
CID 80577321
4,5-dibromo-N-(3-chlorophenyl)thiophene-2-sulfonamide
CID 3830186
3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 61063599
5-bromo-4-chloro-N-(3-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 107370257
5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide
CID 80577849
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide
CID 114764783
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 80578641
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide (CID 80578749) is 5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide is CSc1cccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c1.
What is the InChIKey of 5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide?
The InChIKey is DIICIDDZSDYOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO2S3/c1-17-8-4-2-3-7(5-8)14-19(15,16)10-6-9(13)11(12)18-10/h2-6,14H,1H3.
What are the key properties of 5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide has a molecular weight of 398.76 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80578749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).