N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide

C11H8BrN3O2S2 — CID 78965582

IUPACN-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(N)c1
InChIInChI=1S/C11H8BrN3O2S2/c12-10-3-4-11(18-10)19(16,17)15-9-2-1-7(6-13)5-8(9)14/h1-5,15H,14H2
InChIKeyRZEDJQXQXVCXCY-UHFFFAOYSA-N
MW358.24 g/mol
LogP2.77
Rot. Bonds3

About N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide

N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide (PubChem CID 78965582) has the molecular formula C11H8BrN3O2S2 and a molecular weight of 358.24 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide
PubChem CID78965582
Molecular FormulaC11H8BrN3O2S2
Molecular Weight358.24 g/mol
Exact Mass356.92
IUPAC NameN-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(N)c1
InChIInChI=1S/C11H8BrN3O2S2/c12-10-3-4-11(18-10)19(16,17)15-9-2-1-7(6-13)5-8(9)14/h1-5,15H,14H2
InChIKeyRZEDJQXQXVCXCY-UHFFFAOYSA-N
XLogP2.77
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 104840155
5-bromo-N-(4-cyano-2-pyridinyl)thiophene-2-sulfonamide
CID 86819055
5-bromo-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 22773592
N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265104
N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
CID 78965173
N-(2-amino-4-cyanophenyl)-3,4-difluorobenzenesulfonamide
CID 78965177
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide
CID 64899350
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978
5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 106266828
N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
CID 82708384
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 60550023
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide (CID 78965582) is N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(N)c1.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide?
The InChIKey is RZEDJQXQXVCXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O2S2/c12-10-3-4-11(18-10)19(16,17)15-9-2-1-7(6-13)5-8(9)14/h1-5,15H,14H2.
What are the key properties of N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide?
N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide has a molecular weight of 358.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide is sourced from PubChem (CID 78965582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).