N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide

C11H6BrCl2NO4S2 — CID 3842403

IUPACN-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1c(Cl)sc(Cl)c1Br
InChIInChI=1S/C11H6BrCl2NO4S2/c12-8-9(11(14)20-10(8)13)21(16,17)15-5-1-2-6-7(3-5)19-4-18-6/h1-3,15H,4H2
InChIKeyAQZWWZRGOGYVID-UHFFFAOYSA-N
MW431.12 g/mol
LogP4.35
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide

N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 3842403) has the molecular formula C11H6BrCl2NO4S2 and a molecular weight of 431.12 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide
PubChem CID3842403
Molecular FormulaC11H6BrCl2NO4S2
Molecular Weight431.12 g/mol
Exact Mass428.83
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1c(Cl)sc(Cl)c1Br
InChIInChI=1S/C11H6BrCl2NO4S2/c12-8-9(11(14)20-10(8)13)21(16,17)15-5-1-2-6-7(3-5)19-4-18-6/h1-3,15H,4H2
InChIKeyAQZWWZRGOGYVID-UHFFFAOYSA-N
XLogP4.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.12
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610854
N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide
CID 3716276
4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide
CID 3777525
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 43332813
N-(1,3-benzodioxol-5-yl)-2-chloropyridine-4-sulfonamide
CID 61003220
N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
CID 26951283
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide
CID 3850046
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
CID 1296568
4-bromo-2,5-dichloro-N-[3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
CID 59989411

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide (CID 3842403) is N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1c(Cl)sc(Cl)c1Br.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is AQZWWZRGOGYVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2NO4S2/c12-8-9(11(14)20-10(8)13)21(16,17)15-5-1-2-6-7(3-5)19-4-18-6/h1-3,15H,4H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide?
N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 431.12 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 3842403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).