5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide

C13H13BrClNO3S2 — CID 79998350

IUPAC5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H13BrClNO3S2/c1-7-4-10(11(19-3)6-9(7)15)16-21(17,18)12-5-8(2)13(14)20-12/h4-6,16H,1-3H3
InChIKeyFXFCDWUJVWLCRL-UHFFFAOYSA-N
MW410.74 g/mol
LogP4.59
Rot. Bonds4

About 5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 79998350) has the molecular formula C13H13BrClNO3S2 and a molecular weight of 410.74 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide
PubChem CID79998350
Molecular FormulaC13H13BrClNO3S2
Molecular Weight410.74 g/mol
Exact Mass408.92
IUPAC Name5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H13BrClNO3S2/c1-7-4-10(11(19-3)6-9(7)15)16-21(17,18)12-5-8(2)13(14)20-12/h4-6,16H,1-3H3
InChIKeyFXFCDWUJVWLCRL-UHFFFAOYSA-N
XLogP4.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.74
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427486
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933087
5-bromo-N-(3-chloro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 79933842
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 106831901
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]benzoate
CID 79912735
5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 79995879
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
CID 7940782
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 171699229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide (CID 79998350) is 5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide is COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is FXFCDWUJVWLCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO3S2/c1-7-4-10(11(19-3)6-9(7)15)16-21(17,18)12-5-8(2)13(14)20-12/h4-6,16H,1-3H3.
What are the key properties of 5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 410.74 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79998350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).