5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide

C12H12BrNO3S2 — CID 103748005

IUPAC5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C12H12BrNO3S2/c1-8-11(7-12(13)18-8)19(16,17)14(2)9-4-3-5-10(15)6-9/h3-7,15H,1-2H3
InChIKeyKBHNWLLKFXYADJ-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.35
Rot. Bonds3

About 5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide

5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide (PubChem CID 103748005) has the molecular formula C12H12BrNO3S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide
PubChem CID103748005
Molecular FormulaC12H12BrNO3S2
Molecular Weight362.27 g/mol
Exact Mass360.94
IUPAC Name5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C12H12BrNO3S2/c1-8-11(7-12(13)18-8)19(16,17)14(2)9-4-3-5-10(15)6-9/h3-7,15H,1-2H3
InChIKeyKBHNWLLKFXYADJ-UHFFFAOYSA-N
XLogP3.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-bromo-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733480
2-[(3-hydroxyphenyl)-methylsulfamoyl]benzenecarbothioamide
CID 107735369
5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 107733444
5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide
CID 106272065
3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733489
5-amino-N-(3-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 107733505
5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide
CID 107736812
4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107734220
2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide
CID 114021335
3-amino-N-(3-hydroxyphenyl)-N,2,6-trimethylbenzenesulfonamide
CID 107733521
5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide
CID 115753828
5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120718077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide (CID 103748005) is 5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)N(C)c1cccc(O)c1.
What is the InChIKey of 5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide?
The InChIKey is KBHNWLLKFXYADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3S2/c1-8-11(7-12(13)18-8)19(16,17)14(2)9-4-3-5-10(15)6-9/h3-7,15H,1-2H3.
What are the key properties of 5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide?
5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide has a molecular weight of 362.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 103748005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).