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

C11H10BrNO3S2 — CID 3818227

IUPAC5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1O
InChIInChI=1S/C11H10BrNO3S2/c1-7-2-3-8(6-9(7)14)13-18(15,16)11-5-4-10(12)17-11/h2-6,13-14H,1H3
InChIKeyYJXXAWYTNQLZBE-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.33
Rot. Bonds3

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

5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide (PubChem CID 3818227) has the molecular formula C11H10BrNO3S2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
PubChem CID3818227
Molecular FormulaC11H10BrNO3S2
Molecular Weight348.24 g/mol
Exact Mass346.93
IUPAC Name5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1O
InChIInChI=1S/C11H10BrNO3S2/c1-7-2-3-8(6-9(7)14)13-18(15,16)11-5-4-10(12)17-11/h2-6,13-14H,1H3
InChIKeyYJXXAWYTNQLZBE-UHFFFAOYSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8501268
5-bromo-N-(3-hydroxy-4-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79934527
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-bromo-N-(3-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64782203
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794052
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
5-bromo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
CID 50800200
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide (CID 3818227) is 5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1O.
What is the InChIKey of 5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is YJXXAWYTNQLZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3S2/c1-7-2-3-8(6-9(7)14)13-18(15,16)11-5-4-10(12)17-11/h2-6,13-14H,1H3.
What are the key properties of 5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide?
5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 348.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3818227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).