N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide

C17H16N2O3S — CID 91630513

IUPACN-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccnc(-c3ccco3)c2)c1
InChIInChI=1S/C17H16N2O3S/c1-13-4-2-5-15(10-13)23(20,21)19-12-14-7-8-18-16(11-14)17-6-3-9-22-17/h2-11,19H,12H2,1H3
InChIKeyWVWFIPIZWZYQMP-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.13
Rot. Bonds5

About N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide

N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide (PubChem CID 91630513) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide
PubChem CID91630513
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccnc(-c3ccco3)c2)c1
InChIInChI=1S/C17H16N2O3S/c1-13-4-2-5-15(10-13)23(20,21)19-12-14-7-8-18-16(11-14)17-6-3-9-22-17/h2-11,19H,12H2,1H3
InChIKeyWVWFIPIZWZYQMP-UHFFFAOYSA-N
XLogP3.13
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699
2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 91630514
5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 91630517
N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
CID 91817264
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
CID 4994624
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590
3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785691
3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide
CID 110719016
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
CID 110733832

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide (CID 91630513) is N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2ccnc(-c3ccco3)c2)c1.
What is the InChIKey of N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide?
The InChIKey is WVWFIPIZWZYQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-13-4-2-5-15(10-13)23(20,21)19-12-14-7-8-18-16(11-14)17-6-3-9-22-17/h2-11,19H,12H2,1H3.
What are the key properties of N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide?
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 91630513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).