2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide

C12H11Br2NO2S2 — CID 47319256

IUPAC2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(Br)ccc2Br)s1
InChIInChI=1S/C12H11Br2NO2S2/c1-8-2-4-10(18-8)7-15-19(16,17)12-6-9(13)3-5-11(12)14/h2-6,15H,7H2,1H3
InChIKeyDMPAAIXBNRPSON-UHFFFAOYSA-N
MW425.17 g/mol
LogP4.06
Rot. Bonds4

About 2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide

2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 47319256) has the molecular formula C12H11Br2NO2S2 and a molecular weight of 425.17 g/mol. Its IUPAC name is 2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID47319256
Molecular FormulaC12H11Br2NO2S2
Molecular Weight425.17 g/mol
Exact Mass422.86
IUPAC Name2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(Br)ccc2Br)s1
InChIInChI=1S/C12H11Br2NO2S2/c1-8-2-4-10(18-8)7-15-19(16,17)12-6-9(13)3-5-11(12)14/h2-6,15H,7H2,1H3
InChIKeyDMPAAIXBNRPSON-UHFFFAOYSA-N
XLogP4.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.17
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522523
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
2,4-dibromo-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43683008
3-amino-4-bromo-5-chloro-2-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 103077441
2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 55029578
4-methyl-3-[(5-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 61072748
2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62057216
3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
2,5-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47350573
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide
CID 62949723
3-fluoro-4-[(5-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 79177879
2,5-dibromo-N-ethoxybenzenesulfonamide
CID 60700593

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 47319256) is 2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2cc(Br)ccc2Br)s1.
What is the InChIKey of 2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is DMPAAIXBNRPSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO2S2/c1-8-2-4-10(18-8)7-15-19(16,17)12-6-9(13)3-5-11(12)14/h2-6,15H,7H2,1H3.
What are the key properties of 2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 425.17 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 47319256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).