N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide

C17H16ClN3O2S2 — CID 113033745

IUPACN-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cc(C)c(Nc2ccc(NS(=O)(=O)c3cccs3)nc2)c(Cl)c1
InChIInChI=1S/C17H16ClN3O2S2/c1-11-8-12(2)17(14(18)9-11)20-13-5-6-15(19-10-13)21-25(22,23)16-4-3-7-24-16/h3-10,20H,1-2H3,(H,19,21)
InChIKeyCYXYGTWEJMHOPN-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.96
Rot. Bonds5

About N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide

N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113033745) has the molecular formula C17H16ClN3O2S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113033745
Molecular FormulaC17H16ClN3O2S2
Molecular Weight393.92 g/mol
Exact Mass393.04
IUPAC NameN-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cc(C)c(Nc2ccc(NS(=O)(=O)c3cccs3)nc2)c(Cl)c1
InChIInChI=1S/C17H16ClN3O2S2/c1-11-8-12(2)17(14(18)9-11)20-13-5-6-15(19-10-13)21-25(22,23)16-4-3-7-24-16/h3-10,20H,1-2H3,(H,19,21)
InChIKeyCYXYGTWEJMHOPN-UHFFFAOYSA-N
XLogP4.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113033740
N-[5-(4-chloroanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033430
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113018953
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113017131
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019023
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-(5-bromo-2-pyridinyl)thiophene-2-sulfonamide
CID 778331
2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine
CID 113032840
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113025588

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide (CID 113033745) is N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide is Cc1cc(C)c(Nc2ccc(NS(=O)(=O)c3cccs3)nc2)c(Cl)c1.
What is the InChIKey of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is CYXYGTWEJMHOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S2/c1-11-8-12(2)17(14(18)9-11)20-13-5-6-15(19-10-13)21-25(22,23)16-4-3-7-24-16/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide?
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 393.92 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113033745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).