N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide

C12H13ClN2O2S2 — CID 102976090

IUPACN-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C)cnc2Cl)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-3-9-4-5-11(18-9)19(16,17)15-10-6-8(2)7-14-12(10)13/h4-7,15H,3H2,1-2H3
InChIKeyZMAQCMDPTUWPSZ-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.47
Rot. Bonds4

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

N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 102976090) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
PubChem CID102976090
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C)cnc2Cl)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-3-9-4-5-11(18-9)19(16,17)15-10-6-8(2)7-14-12(10)13/h4-7,15H,3H2,1-2H3
InChIKeyZMAQCMDPTUWPSZ-UHFFFAOYSA-N
XLogP3.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454311
N-(6-chloro-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 113231899
N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 81433105
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 104757226
N-(5-amino-4-methyl-2-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 61454347
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 102976182
5-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 71974673
3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
CID 102976125
N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide (CID 102976090) is N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2cc(C)cnc2Cl)s1.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is ZMAQCMDPTUWPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-3-9-4-5-11(18-9)19(16,17)15-10-6-8(2)7-14-12(10)13/h4-7,15H,3H2,1-2H3.
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide?
N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 316.84 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 102976090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).