N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide

C12H9BrN2O2S2 — CID 82708384

IUPACN-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C#N)s1
InChIInChI=1S/C12H9BrN2O2S2/c1-8-2-5-12(18-8)19(16,17)15-11-4-3-10(13)6-9(11)7-14/h2-6,15H,1H3
InChIKeyMBLMGZULCQLCPZ-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.49
Rot. Bonds3

About N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide

N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide (PubChem CID 82708384) has the molecular formula C12H9BrN2O2S2 and a molecular weight of 357.25 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
PubChem CID82708384
Molecular FormulaC12H9BrN2O2S2
Molecular Weight357.25 g/mol
Exact Mass355.93
IUPAC NameN-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C#N)s1
InChIInChI=1S/C12H9BrN2O2S2/c1-8-2-5-12(18-8)19(16,17)15-11-4-3-10(13)6-9(11)7-14/h2-6,15H,1H3
InChIKeyMBLMGZULCQLCPZ-UHFFFAOYSA-N
XLogP3.49
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946
N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988390
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234
4-bromo-2-cyano-1-(sulfamoylamino)benzene
CID 67402187
4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339
N-(4-amino-2-methylphenyl)-5-methylthiophene-2-sulfonamide
CID 28783297
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
5-bromo-2-(tert-butylsulfamoylamino)benzonitrile
CID 114808012
N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 82708048
N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide
CID 103844041
4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 82692232
3-amino-4-bromo-N-(4-bromo-2-cyanophenyl)benzenesulfonamide
CID 82693272

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide (CID 82708384) is N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C#N)s1.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is MBLMGZULCQLCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2S2/c1-8-2-5-12(18-8)19(16,17)15-11-4-3-10(13)6-9(11)7-14/h2-6,15H,1H3.
What are the key properties of N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide?
N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 357.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 82708384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).