5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide

C12H9IN2O2S2 — CID 114189417

IUPAC5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1I
InChIInChI=1S/C12H9IN2O2S2/c1-8-2-3-9(6-11(8)13)15-19(16,17)12-5-4-10(7-14)18-12/h2-6,15H,1H3
InChIKeyAHQOMBWELNNYIZ-UHFFFAOYSA-N
MW404.25 g/mol
LogP3.33
Rot. Bonds3

About 5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide

5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide (PubChem CID 114189417) has the molecular formula C12H9IN2O2S2 and a molecular weight of 404.25 g/mol. Its IUPAC name is 5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide
PubChem CID114189417
Molecular FormulaC12H9IN2O2S2
Molecular Weight404.25 g/mol
Exact Mass403.92
IUPAC Name5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1I
InChIInChI=1S/C12H9IN2O2S2/c1-8-2-3-9(6-11(8)13)15-19(16,17)12-5-4-10(7-14)18-12/h2-6,15H,1H3
InChIKeyAHQOMBWELNNYIZ-UHFFFAOYSA-N
XLogP3.33
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196
5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600
5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106266948
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272309
5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 106267245
5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 106269563
5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
CID 106272386
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
CID 106265350
5-cyano-N-quinolin-6-ylthiophene-2-sulfonamide
CID 106268086
methyl 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoate
CID 106273151
5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106269400

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide (CID 114189417) is 5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1I.
What is the InChIKey of 5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is AHQOMBWELNNYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN2O2S2/c1-8-2-3-9(6-11(8)13)15-19(16,17)12-5-4-10(7-14)18-12/h2-6,15H,1H3.
What are the key properties of 5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide?
5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 404.25 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114189417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).