2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide

C10H7Cl3N2O2S2 — CID 114051247

IUPAC2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide
SMILESCc1ccnc(Cl)c1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7Cl3N2O2S2/c1-5-2-3-14-9(12)8(5)15-19(16,17)6-4-7(11)18-10(6)13/h2-4,15H,1H3
InChIKeyXKSKUGPXSQQVGF-UHFFFAOYSA-N
MW357.67 g/mol
LogP4.21
Rot. Bonds3

About 2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide

2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide (PubChem CID 114051247) has the molecular formula C10H7Cl3N2O2S2 and a molecular weight of 357.67 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide
PubChem CID114051247
Molecular FormulaC10H7Cl3N2O2S2
Molecular Weight357.67 g/mol
Exact Mass355.90
IUPAC Name2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide
SMILESCc1ccnc(Cl)c1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7Cl3N2O2S2/c1-5-2-3-14-9(12)8(5)15-19(16,17)6-4-7(11)18-10(6)13/h2-4,15H,1H3
InChIKeyXKSKUGPXSQQVGF-UHFFFAOYSA-N
XLogP4.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.67
LogP ≤ 54.21
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

2,5-dichloro-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 18274556
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
2-amino-5-chloro-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65491458
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79885317
2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 65490489
2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65490667
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80641824
5-[(2-chloro-4-methyl-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 65489280
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65489076
2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyrimidine-5-sulfonamide
CID 65489476
N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 3773428
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide
CID 65491849

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide (CID 114051247) is 2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide is Cc1ccnc(Cl)c1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide?
The InChIKey is XKSKUGPXSQQVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2O2S2/c1-5-2-3-14-9(12)8(5)15-19(16,17)6-4-7(11)18-10(6)13/h2-4,15H,1H3.
What are the key properties of 2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide has a molecular weight of 357.67 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114051247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).