2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide

C14H15N3O3S — CID 958653

IUPAC2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide
SMILESCN(c1ccccc1C(=O)Nc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C14H15N3O3S/c1-17(21(2,19)20)13-8-4-3-7-12(13)14(18)16-11-6-5-9-15-10-11/h3-10H,1-2H3,(H,16,18)
InChIKeyKBLABGQADUVIGE-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.73
Rot. Bonds4

About 2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide

2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide (PubChem CID 958653) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide
PubChem CID958653
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide
SMILESCN(c1ccccc1C(=O)Nc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C14H15N3O3S/c1-17(21(2,19)20)13-8-4-3-7-12(13)14(18)16-11-6-5-9-15-10-11/h3-10H,1-2H3,(H,16,18)
InChIKeyKBLABGQADUVIGE-UHFFFAOYSA-N
XLogP1.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide (CID 958653) is 2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide is CN(c1ccccc1C(=O)Nc1cccnc1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide?
The InChIKey is KBLABGQADUVIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-17(21(2,19)20)13-8-4-3-7-12(13)14(18)16-11-6-5-9-15-10-11/h3-10H,1-2H3,(H,16,18).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide?
2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide has a molecular weight of 305.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 958653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).