N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide

C11H8ClN3O2S2 — CID 106273443

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide
SMILESCc1nc(Cl)ccc1NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H8ClN3O2S2/c1-7-9(3-4-10(12)14-7)15-19(16,17)11-5-2-8(6-13)18-11/h2-5,15H,1H3
InChIKeyHGSWAUDUQDHXCC-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.78
Rot. Bonds3

About N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide

N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide (PubChem CID 106273443) has the molecular formula C11H8ClN3O2S2 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide
PubChem CID106273443
Molecular FormulaC11H8ClN3O2S2
Molecular Weight313.79 g/mol
Exact Mass312.97
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide
SMILESCc1nc(Cl)ccc1NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H8ClN3O2S2/c1-7-9(3-4-10(12)14-7)15-19(16,17)11-5-2-8(6-13)18-11/h2-5,15H,1H3
InChIKeyHGSWAUDUQDHXCC-UHFFFAOYSA-N
XLogP2.78
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 107266798
N-(2-bromo-5-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106268722
N-(2-bromo-3-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269296
5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide
CID 114166841
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401
5-cyano-N-naphthalen-1-ylthiophene-2-sulfonamide
CID 106266893
5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
CID 106266909
5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 106266828
N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265098
2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide
CID 107266790
N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267209
5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106272305

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide (CID 106273443) is N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide is Cc1nc(Cl)ccc1NS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide?
The InChIKey is HGSWAUDUQDHXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2S2/c1-7-9(3-4-10(12)14-7)15-19(16,17)11-5-2-8(6-13)18-11/h2-5,15H,1H3.
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide?
N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide has a molecular weight of 313.79 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106273443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).