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

C11H10BrNO3S2 — CID 64793855

IUPAC3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
SMILESCc1c(O)cccc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H10BrNO3S2/c1-7-9(3-2-4-10(7)14)13-18(15,16)11-8(12)5-6-17-11/h2-6,13-14H,1H3
InChIKeyBMROWQKHVQZLIK-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.33
Rot. Bonds3

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

3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide (PubChem CID 64793855) has the molecular formula C11H10BrNO3S2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
PubChem CID64793855
Molecular FormulaC11H10BrNO3S2
Molecular Weight348.24 g/mol
Exact Mass346.93
IUPAC Name3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
SMILESCc1c(O)cccc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H10BrNO3S2/c1-7-9(3-2-4-10(7)14)13-18(15,16)11-8(12)5-6-17-11/h2-6,13-14H,1H3
InChIKeyBMROWQKHVQZLIK-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

Analyze 3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81495157
2-[2-[(3-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 62536493
2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide
CID 61062884
2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814262
3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063182
N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide
CID 64894470
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113445600
3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113319012
N-(4-amino-2-methylphenyl)-3-bromothiophene-2-sulfonamide
CID 54947088
3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79026156
3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
CID 61458187
3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
CID 61062460

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide (CID 64793855) is 3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide is Cc1c(O)cccc1NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is BMROWQKHVQZLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3S2/c1-7-9(3-2-4-10(7)14)13-18(15,16)11-8(12)5-6-17-11/h2-6,13-14H,1H3.
What are the key properties of 3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide?
3-bromo-N-(3-hydroxy-2-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 3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 64793855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).