4-bromobenzenesulfonamide;ethane

C8H12BrNO2S — CID 143929211

IUPAC4-bromobenzenesulfonamide;ethane
SMILESCC.NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C6H6BrNO2S.C2H6/c7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-4H,(H2,8,9,10);1-2H3
InChIKeyVBTXOLOFIUXXPS-UHFFFAOYSA-N
MW266.16 g/mol
LogP2.12
Rot. Bonds1

About 4-bromobenzenesulfonamide;ethane

4-bromobenzenesulfonamide;ethane (PubChem CID 143929211) has the molecular formula C8H12BrNO2S and a molecular weight of 266.16 g/mol. Its IUPAC name is 4-bromobenzenesulfonamide;ethane.

Molecular Properties

Compound Name4-bromobenzenesulfonamide;ethane
PubChem CID143929211
Molecular FormulaC8H12BrNO2S
Molecular Weight266.16 g/mol
Exact Mass264.98
IUPAC Name4-bromobenzenesulfonamide;ethane
SMILESCC.NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C6H6BrNO2S.C2H6/c7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-4H,(H2,8,9,10);1-2H3
InChIKeyVBTXOLOFIUXXPS-UHFFFAOYSA-N
XLogP2.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 173300479
methane;4-methylbenzenesulfonamide
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4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615150
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
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4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10150664
4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 10249970
4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide
CID 174424491
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide
CID 4806491
barium(2+);bis(4-bromobenzenesulfonate)
CID 139842323
CID 159358457
CID 159358457
4-bromobenzenesulfonyl chloride
CID 174561770

Frequently Asked Questions

What is the IUPAC name of 4-bromobenzenesulfonamide;ethane?
The IUPAC name of 4-bromobenzenesulfonamide;ethane (CID 143929211) is 4-bromobenzenesulfonamide;ethane.
What is the SMILES notation for 4-bromobenzenesulfonamide;ethane?
The canonical SMILES for 4-bromobenzenesulfonamide;ethane is CC.NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromobenzenesulfonamide;ethane?
The InChIKey is VBTXOLOFIUXXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2S.C2H6/c7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-4H,(H2,8,9,10);1-2H3.
What are the key properties of 4-bromobenzenesulfonamide;ethane?
4-bromobenzenesulfonamide;ethane has a molecular weight of 266.16 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzenesulfonamide;ethane is sourced from PubChem (CID 143929211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).