N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide

C18H19N3O2S2 — CID 113032078

IUPACN-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(C)c(Nc2ccc(NS(=O)(=O)c3ccc(C)s3)nc2)c1
InChIInChI=1S/C18H19N3O2S2/c1-12-4-5-13(2)16(10-12)20-15-7-8-17(19-11-15)21-25(22,23)18-9-6-14(3)24-18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyCVPITSRTSGQECL-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.61
Rot. Bonds5

About N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide

N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide (PubChem CID 113032078) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
PubChem CID113032078
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(C)c(Nc2ccc(NS(=O)(=O)c3ccc(C)s3)nc2)c1
InChIInChI=1S/C18H19N3O2S2/c1-12-4-5-13(2)16(10-12)20-15-7-8-17(19-11-15)21-25(22,23)18-9-6-14(3)24-18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyCVPITSRTSGQECL-UHFFFAOYSA-N
XLogP4.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113035942
N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113032063
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113032084
5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030482
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030356
5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113027958
5-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113016834
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113036484

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide (CID 113032078) is N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(C)c(Nc2ccc(NS(=O)(=O)c3ccc(C)s3)nc2)c1.
What is the InChIKey of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is CVPITSRTSGQECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-12-4-5-13(2)16(10-12)20-15-7-8-17(19-11-15)21-25(22,23)18-9-6-14(3)24-18/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide?
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 373.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113032078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).