N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide

C17H17N3O2S2 — CID 113017131

IUPACN-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cc(C)cc(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)c1
InChIInChI=1S/C17H17N3O2S2/c1-12-8-13(2)10-15(9-12)19-16-6-5-14(11-18-16)20-24(21,22)17-4-3-7-23-17/h3-11,20H,1-2H3,(H,18,19)
InChIKeyZHDSIXUJLXWEKS-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.30
Rot. Bonds5

About N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide

N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113017131) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113017131
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC NameN-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cc(C)cc(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)c1
InChIInChI=1S/C17H17N3O2S2/c1-12-8-13(2)10-15(9-12)19-16-6-5-14(11-18-16)20-24(21,22)17-4-3-7-23-17/h3-11,20H,1-2H3,(H,18,19)
InChIKeyZHDSIXUJLXWEKS-UHFFFAOYSA-N
XLogP4.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113018953
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113021347
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019023
N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019944
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033745
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020007
methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020656
N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113015165

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide (CID 113017131) is N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide is Cc1cc(C)cc(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)c1.
What is the InChIKey of N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is ZHDSIXUJLXWEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-12-8-13(2)10-15(9-12)19-16-6-5-14(11-18-16)20-24(21,22)17-4-3-7-23-17/h3-11,20H,1-2H3,(H,18,19).
What are the key properties of N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide?
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 359.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113017131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).