N-butyl-5-cyanothiophene-2-sulfonamide

C9H12N2O2S2 — CID 106266954

IUPACN-butyl-5-cyanothiophene-2-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H12N2O2S2/c1-2-3-6-11-15(12,13)9-5-4-8(7-10)14-9/h4-5,11H,2-3,6H2,1H3
InChIKeyKOQJSFWKJQLYFV-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.70
Rot. Bonds5

About N-butyl-5-cyanothiophene-2-sulfonamide

N-butyl-5-cyanothiophene-2-sulfonamide (PubChem CID 106266954) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-butyl-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-5-cyanothiophene-2-sulfonamide
PubChem CID106266954
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC NameN-butyl-5-cyanothiophene-2-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H12N2O2S2/c1-2-3-6-11-15(12,13)9-5-4-8(7-10)14-9/h4-5,11H,2-3,6H2,1H3
InChIKeyKOQJSFWKJQLYFV-UHFFFAOYSA-N
XLogP1.70
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide
CID 114166393
2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide
CID 106267367
5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide
CID 106269784
4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
CID 106265760
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 106268602
2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate
CID 114166352
5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106428781
5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106267494
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-butyl-5-cyanothiophene-2-sulfonamide (CID 106266954) is N-butyl-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-butyl-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-butyl-5-cyanothiophene-2-sulfonamide is CCCCNS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of N-butyl-5-cyanothiophene-2-sulfonamide?
The InChIKey is KOQJSFWKJQLYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c1-2-3-6-11-15(12,13)9-5-4-8(7-10)14-9/h4-5,11H,2-3,6H2,1H3.
What are the key properties of N-butyl-5-cyanothiophene-2-sulfonamide?
N-butyl-5-cyanothiophene-2-sulfonamide has a molecular weight of 244.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106266954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).