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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Related Compounds

3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311217
3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 155561849
3-(2,1,3-benzoxadiazol-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311565
2-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzonitrile
CID 123793493
4-methylsulfonylbenzamide;hydrochloride
CID 71184405
5-(4-methylsulfonylphenyl)-3-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyridin-2-amine
CID 71594226
6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide
CID 70654610
3-[6-(8-methylquinolin-5-yl)-3-pyridinyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 71594255
4-[6-amino-5-(6-methylsulfonyl-3-pyridinyl)-3-pyridinyl]benzenesulfinic acid
CID 118312131
4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide
CID 146685867
4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol
CID 155521619
N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide
CID 71038038

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).