N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide

C12H12BrNO3S2 — CID 47310946

IUPACN-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C12H12BrNO3S2/c1-8-3-6-12(18-8)19(15,16)14-10-7-9(13)4-5-11(10)17-2/h3-7,14H,1-2H3
InChIKeyVWNOQVUIYXERBS-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.63
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide

N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide (PubChem CID 47310946) has the molecular formula C12H12BrNO3S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
PubChem CID47310946
Molecular FormulaC12H12BrNO3S2
Molecular Weight362.27 g/mol
Exact Mass360.94
IUPAC NameN-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C12H12BrNO3S2/c1-8-3-6-12(18-8)19(15,16)14-10-7-9(13)4-5-11(10)17-2/h3-7,14H,1-2H3
InChIKeyVWNOQVUIYXERBS-UHFFFAOYSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
CID 82708384
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 61074376
N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 110777954
5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 43155714
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide
CID 103844041
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508
N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 107468276
4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54967949

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide (CID 47310946) is N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide is COc1ccc(Br)cc1NS(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is VWNOQVUIYXERBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3S2/c1-8-3-6-12(18-8)19(15,16)14-10-7-9(13)4-5-11(10)17-2/h3-7,14H,1-2H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide?
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 362.27 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 47310946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).