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

C14H17N3O2S — CID 113011606

IUPACN-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
SMILESCc1ccccc1CNc1ccc(NS(C)(=O)=O)cn1
InChIInChI=1S/C14H17N3O2S/c1-11-5-3-4-6-12(11)9-15-14-8-7-13(10-16-14)17-20(2,18)19/h3-8,10,17H,9H2,1-2H3,(H,15,16)
InChIKeyIFFUAELTALDDNJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.37
Rot. Bonds5

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

N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide (PubChem CID 113011606) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
PubChem CID113011606
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
SMILESCc1ccccc1CNc1ccc(NS(C)(=O)=O)cn1
InChIInChI=1S/C14H17N3O2S/c1-11-5-3-4-6-12(11)9-15-14-8-7-13(10-16-14)17-20(2,18)19/h3-8,10,17H,9H2,1-2H3,(H,15,16)
InChIKeyIFFUAELTALDDNJ-UHFFFAOYSA-N
XLogP2.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012399
4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011637
5-chloro-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011631
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113011636
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012323
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553
4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011554
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
N-[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012075
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113026569
2-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026479

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide (CID 113011606) is N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide is Cc1ccccc1CNc1ccc(NS(C)(=O)=O)cn1.
What is the InChIKey of N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide?
The InChIKey is IFFUAELTALDDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-5-3-4-6-12(11)9-15-14-8-7-13(10-16-14)17-20(2,18)19/h3-8,10,17H,9H2,1-2H3,(H,15,16).
What are the key properties of N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide?
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 113011606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).