N-benzyl-5-bromothiophene-2-sulfonamide

C11H10BrNO2S2 — CID 848221

IUPACN-benzyl-5-bromothiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C11H10BrNO2S2/c12-10-6-7-11(16-10)17(14,15)13-8-9-4-2-1-3-5-9/h1-7,13H,8H2
InChIKeyWBSSHTQFHJPHED-UHFFFAOYSA-N
MW332.24 g/mol
LogP2.99
Rot. Bonds4

About N-benzyl-5-bromothiophene-2-sulfonamide

N-benzyl-5-bromothiophene-2-sulfonamide (PubChem CID 848221) has the molecular formula C11H10BrNO2S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is N-benzyl-5-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-5-bromothiophene-2-sulfonamide
PubChem CID848221
Molecular FormulaC11H10BrNO2S2
Molecular Weight332.24 g/mol
Exact Mass330.93
IUPAC NameN-benzyl-5-bromothiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C11H10BrNO2S2/c12-10-6-7-11(16-10)17(14,15)13-8-9-4-2-1-3-5-9/h1-7,13H,8H2
InChIKeyWBSSHTQFHJPHED-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
CID 6621397
5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 54903909
5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 3745501
5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 3488993
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide
CID 5016701
5-bromo-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 56765391
5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide
CID 92686097
5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 61059094
5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide
CID 103940604
5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 3714744
5-bromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 6737105
5-(4-acetylphenyl)-N-benzylthiophene-2-sulfonamide
CID 53467494

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromothiophene-2-sulfonamide?
The IUPAC name of N-benzyl-5-bromothiophene-2-sulfonamide (CID 848221) is N-benzyl-5-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-5-bromothiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-5-bromothiophene-2-sulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(Br)s1.
What is the InChIKey of N-benzyl-5-bromothiophene-2-sulfonamide?
The InChIKey is WBSSHTQFHJPHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S2/c12-10-6-7-11(16-10)17(14,15)13-8-9-4-2-1-3-5-9/h1-7,13H,8H2.
What are the key properties of N-benzyl-5-bromothiophene-2-sulfonamide?
N-benzyl-5-bromothiophene-2-sulfonamide has a molecular weight of 332.24 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromothiophene-2-sulfonamide is sourced from PubChem (CID 848221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).