N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide

C17H17N3O2S2 — CID 113011521

IUPACN-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3)nc2)s1
InChIInChI=1S/C17H17N3O2S2/c1-13-7-10-17(23-13)24(21,22)20-15-8-9-16(19-12-15)18-11-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3,(H,18,19)
InChIKeyWOQBSAGLAPKHQF-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.86
Rot. Bonds6

About N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide

N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide (PubChem CID 113011521) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
PubChem CID113011521
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC NameN-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3)nc2)s1
InChIInChI=1S/C17H17N3O2S2/c1-13-7-10-17(23-13)24(21,22)20-15-8-9-16(19-12-15)18-11-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3,(H,18,19)
InChIKeyWOQBSAGLAPKHQF-UHFFFAOYSA-N
XLogP3.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113027958
5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011834
5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011734
N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide
CID 113026460
5-chloro-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011631
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113011508
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030482
5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030356
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113018737

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide (CID 113011521) is N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3)nc2)s1.
What is the InChIKey of N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is WOQBSAGLAPKHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-13-7-10-17(23-13)24(21,22)20-15-8-9-16(19-12-15)18-11-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3,(H,18,19).
What are the key properties of N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 359.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113011521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).