N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide

C14H17N3O3S — CID 113012399

IUPACN-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide
SMILESCOc1ccccc1CNc1ccc(NS(C)(=O)=O)cn1
InChIInChI=1S/C14H17N3O3S/c1-20-13-6-4-3-5-11(13)9-15-14-8-7-12(10-16-14)17-21(2,18)19/h3-8,10,17H,9H2,1-2H3,(H,15,16)
InChIKeyYNIBFRDDBDAXKV-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.07
Rot. Bonds6

About N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide

N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide (PubChem CID 113012399) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide
PubChem CID113012399
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide
SMILESCOc1ccccc1CNc1ccc(NS(C)(=O)=O)cn1
InChIInChI=1S/C14H17N3O3S/c1-20-13-6-4-3-5-11(13)9-15-14-8-7-12(10-16-14)17-21(2,18)19/h3-8,10,17H,9H2,1-2H3,(H,15,16)
InChIKeyYNIBFRDDBDAXKV-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113011606
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113012405
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113012346
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 28548307
2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347
2-(4-methoxyphenyl)-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]acetamide
CID 113012370
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide
CID 113013406
6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012323
ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027367

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide (CID 113012399) is N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide is COc1ccccc1CNc1ccc(NS(C)(=O)=O)cn1.
What is the InChIKey of N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide?
The InChIKey is YNIBFRDDBDAXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-13-6-4-3-5-11(13)9-15-14-8-7-12(10-16-14)17-21(2,18)19/h3-8,10,17H,9H2,1-2H3,(H,15,16).
What are the key properties of N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide?
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 113012399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).