3,6-dibromo-2-cyanobenzenesulfonamide

C7H4Br2N2O2S — CID 171007059

IUPAC3,6-dibromo-2-cyanobenzenesulfonamide
SMILESN#Cc1c(Br)ccc(Br)c1S(N)(=O)=O
InChIInChI=1S/C7H4Br2N2O2S/c8-5-1-2-6(9)7(4(5)3-10)14(11,12)13/h1-2H,(H2,11,12,13)
InChIKeyDXCZGLBUQQYFPE-UHFFFAOYSA-N
MW340.00 g/mol
LogP1.73
Rot. Bonds1

About 3,6-dibromo-2-cyanobenzenesulfonamide

3,6-dibromo-2-cyanobenzenesulfonamide (PubChem CID 171007059) has the molecular formula C7H4Br2N2O2S and a molecular weight of 340.00 g/mol. Its IUPAC name is 3,6-dibromo-2-cyanobenzenesulfonamide.

Molecular Properties

Compound Name3,6-dibromo-2-cyanobenzenesulfonamide
PubChem CID171007059
Molecular FormulaC7H4Br2N2O2S
Molecular Weight340.00 g/mol
Exact Mass337.84
IUPAC Name3,6-dibromo-2-cyanobenzenesulfonamide
SMILESN#Cc1c(Br)ccc(Br)c1S(N)(=O)=O
InChIInChI=1S/C7H4Br2N2O2S/c8-5-1-2-6(9)7(4(5)3-10)14(11,12)13/h1-2H,(H2,11,12,13)
InChIKeyDXCZGLBUQQYFPE-UHFFFAOYSA-N
XLogP1.73
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.00
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-cyano-2-iodobenzenesulfonyl chloride
CID 118850809
2,6-dibromobenzonitrile
CID 12683209
2-(3-bromo-2-cyanoanilino)ethanesulfonamide
CID 114880630
3,6-dibromo-2-fluorobenzonitrile
CID 50997948
3,6-dibromo-2-chlorobenzonitrile
CID 169336599
3,6-dibromo-2-methylbenzonitrile
CID 171003305
6-bromo-2,3-difluorobenzenesulfonamide
CID 171004866
2-amino-6-bromo-3-sulfanylbenzonitrile
CID 91874781
6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 151930753
6-bromo-3-fluoro-2-iodobenzenesulfonamide
CID 171033070
4-bromo-2-cyano-3-iodobenzenesulfonyl chloride
CID 118817297
2-amino-6-bromo-3-methoxybenzonitrile
CID 82013372

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2-cyanobenzenesulfonamide?
The IUPAC name of 3,6-dibromo-2-cyanobenzenesulfonamide (CID 171007059) is 3,6-dibromo-2-cyanobenzenesulfonamide.
What is the SMILES notation for 3,6-dibromo-2-cyanobenzenesulfonamide?
The canonical SMILES for 3,6-dibromo-2-cyanobenzenesulfonamide is N#Cc1c(Br)ccc(Br)c1S(N)(=O)=O.
What is the InChIKey of 3,6-dibromo-2-cyanobenzenesulfonamide?
The InChIKey is DXCZGLBUQQYFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N2O2S/c8-5-1-2-6(9)7(4(5)3-10)14(11,12)13/h1-2H,(H2,11,12,13).
What are the key properties of 3,6-dibromo-2-cyanobenzenesulfonamide?
3,6-dibromo-2-cyanobenzenesulfonamide has a molecular weight of 340.00 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2-cyanobenzenesulfonamide is sourced from PubChem (CID 171007059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).