N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide

C14H17N3O3S — CID 62164415

IUPACN-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NCc2ccccc2OC)ccn1
InChIInChI=1S/C14H17N3O3S/c1-15-14-9-12(7-8-16-14)21(18,19)17-10-11-5-3-4-6-13(11)20-2/h3-9,17H,10H2,1-2H3,(H,15,16)
InChIKeyUMEGXQCVKNCULL-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.61
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide

N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 62164415) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
PubChem CID62164415
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NCc2ccccc2OC)ccn1
InChIInChI=1S/C14H17N3O3S/c1-15-14-9-12(7-8-16-14)21(18,19)17-10-11-5-3-4-6-13(11)20-2/h3-9,17H,10H2,1-2H3,(H,15,16)
InChIKeyUMEGXQCVKNCULL-UHFFFAOYSA-N
XLogP1.61
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide
CID 106897636
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 62164890
2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-sulfonamide
CID 62840002
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
2-amino-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 62164569
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide (CID 62164415) is N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)NCc2ccccc2OC)ccn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is UMEGXQCVKNCULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-15-14-9-12(7-8-16-14)21(18,19)17-10-11-5-3-4-6-13(11)20-2/h3-9,17H,10H2,1-2H3,(H,15,16).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide?
N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62164415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).