4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide

C12H10BrCl2NO4S2 — CID 3777525

IUPAC4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(Cl)sc(Cl)c2Br)cc(OC)c1
InChIInChI=1S/C12H10BrCl2NO4S2/c1-19-7-3-6(4-8(5-7)20-2)16-22(17,18)10-9(13)11(14)21-12(10)15/h3-5,16H,1-2H3
InChIKeyYCMKLIKNJVSXRK-UHFFFAOYSA-N
MW447.16 g/mol
LogP4.64
Rot. Bonds5

About 4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide

4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide (PubChem CID 3777525) has the molecular formula C12H10BrCl2NO4S2 and a molecular weight of 447.16 g/mol. Its IUPAC name is 4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide
PubChem CID3777525
Molecular FormulaC12H10BrCl2NO4S2
Molecular Weight447.16 g/mol
Exact Mass444.86
IUPAC Name4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(Cl)sc(Cl)c2Br)cc(OC)c1
InChIInChI=1S/C12H10BrCl2NO4S2/c1-19-7-3-6(4-8(5-7)20-2)16-22(17,18)10-9(13)11(14)21-12(10)15/h3-5,16H,1-2H3
InChIKeyYCMKLIKNJVSXRK-UHFFFAOYSA-N
XLogP4.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.16
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(3-bromophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 5092209
4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide
CID 3850046
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide
CID 3842403
2-amino-N-(3-bromo-5-methoxyphenyl)-6-chlorobenzenesulfonamide
CID 82859345
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
4-bromo-2,5-dichloro-N-[3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
CID 59989411
4-bromo-2,5-dichloro-N-[3-[(2Z)-2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]thiophene-3-sulfonamide
CID 69209925
4-bromo-2,5-dichloro-N-[5-(hydroxymethyl)-2-methylphenyl]thiophene-3-sulfonamide
CID 3377394
4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide
CID 3804697
4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 98000872
4-bromo-2,5-dichloro-N-[3-(6-fluoro-3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-3-sulfonamide
CID 22640431

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide?
The IUPAC name of 4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide (CID 3777525) is 4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide is COc1cc(NS(=O)(=O)c2c(Cl)sc(Cl)c2Br)cc(OC)c1.
What is the InChIKey of 4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide?
The InChIKey is YCMKLIKNJVSXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NO4S2/c1-19-7-3-6(4-8(5-7)20-2)16-22(17,18)10-9(13)11(14)21-12(10)15/h3-5,16H,1-2H3.
What are the key properties of 4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide?
4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide has a molecular weight of 447.16 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 3777525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).