2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide

C13H8Br2N2O2S — CID 47257475

IUPAC2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C13H8Br2N2O2S/c14-10-3-6-13(12(15)7-10)20(18,19)17-11-4-1-9(8-16)2-5-11/h1-7,17H
InChIKeyWTLNGCWHGNRGMT-UHFFFAOYSA-N
MW416.09 g/mol
LogP3.88
Rot. Bonds3

About 2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide

2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide (PubChem CID 47257475) has the molecular formula C13H8Br2N2O2S and a molecular weight of 416.09 g/mol. Its IUPAC name is 2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
PubChem CID47257475
Molecular FormulaC13H8Br2N2O2S
Molecular Weight416.09 g/mol
Exact Mass413.87
IUPAC Name2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C13H8Br2N2O2S/c14-10-3-6-13(12(15)7-10)20(18,19)17-11-4-1-9(8-16)2-5-11/h1-7,17H
InChIKeyWTLNGCWHGNRGMT-UHFFFAOYSA-N
XLogP3.88
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.09
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 43256061
5-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 65201995
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437
5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide
CID 7939000
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
CID 106491269
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
CID 60823302
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695
4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide
CID 28553639
N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide
CID 60824053

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide (CID 47257475) is 2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of 2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide?
The InChIKey is WTLNGCWHGNRGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2O2S/c14-10-3-6-13(12(15)7-10)20(18,19)17-11-4-1-9(8-16)2-5-11/h1-7,17H.
What are the key properties of 2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide?
2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide has a molecular weight of 416.09 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide is sourced from PubChem (CID 47257475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).