5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide

C11H8BrCl2NO2S2 — CID 3714744

IUPAC5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cc(Cl)ccc1Cl)c1ccc(Br)s1
InChIInChI=1S/C11H8BrCl2NO2S2/c12-10-3-4-11(18-10)19(16,17)15-6-7-5-8(13)1-2-9(7)14/h1-5,15H,6H2
InChIKeyQTBQTMCPAOXTER-UHFFFAOYSA-N
MW401.13 g/mol
LogP4.30
Rot. Bonds4

About 5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide

5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 3714744) has the molecular formula C11H8BrCl2NO2S2 and a molecular weight of 401.13 g/mol. Its IUPAC name is 5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID3714744
Molecular FormulaC11H8BrCl2NO2S2
Molecular Weight401.13 g/mol
Exact Mass398.86
IUPAC Name5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cc(Cl)ccc1Cl)c1ccc(Br)s1
InChIInChI=1S/C11H8BrCl2NO2S2/c12-10-3-4-11(18-10)19(16,17)15-6-7-5-8(13)1-2-9(7)14/h1-5,15H,6H2
InChIKeyQTBQTMCPAOXTER-UHFFFAOYSA-N
XLogP4.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.13
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 6737105
5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 3745501
5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide
CID 110416286
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide
CID 3838244
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide
CID 15999318
N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80578169
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 19575260
5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 54903909
5-chloro-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 113098447
5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209573

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide (CID 3714744) is 5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1cc(Cl)ccc1Cl)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is QTBQTMCPAOXTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NO2S2/c12-10-3-4-11(18-10)19(16,17)15-6-7-5-8(13)1-2-9(7)14/h1-5,15H,6H2.
What are the key properties of 5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 401.13 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3714744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).