4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide

C19H17N3O3S — CID 53311138

IUPAC4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1
InChIInChI=1S/C19H17N3O3S/c1-26(24,25)16-8-6-12(7-9-16)15-10-17(18(20)22-11-15)13-2-4-14(5-3-13)19(21)23/h2-11H,1H3,(H2,20,22)(H2,21,23)
InChIKeyROULPWBIPBUFHM-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.50
Rot. Bonds4

About 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide

4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide (PubChem CID 53311138) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide
PubChem CID53311138
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1
InChIInChI=1S/C19H17N3O3S/c1-26(24,25)16-8-6-12(7-9-16)15-10-17(18(20)22-11-15)13-2-4-14(5-3-13)19(21)23/h2-11H,1H3,(H2,20,22)(H2,21,23)
InChIKeyROULPWBIPBUFHM-UHFFFAOYSA-N
XLogP2.50
TPSA116.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide (CID 53311138) is 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1.
What is the InChIKey of 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide?
The InChIKey is ROULPWBIPBUFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-26(24,25)16-8-6-12(7-9-16)15-10-17(18(20)22-11-15)13-2-4-14(5-3-13)19(21)23/h2-11H,1H3,(H2,20,22)(H2,21,23).
What are the key properties of 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide?
4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide has a molecular weight of 367.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 53311138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).