N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide

C19H16FN3O2S — CID 155005513

IUPACN-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2ccc(F)c(NS(=O)c3ccccc3)c2)c1
InChIInChI=1S/C19H16FN3O2S/c1-13(24)22-16-9-15(11-21-12-16)14-7-8-18(20)19(10-14)23-26(25)17-5-3-2-4-6-17/h2-12,23H,1H3,(H,22,24)
InChIKeyXZKCRBKUAGAQKA-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.98
Rot. Bonds5

About N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide

N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide (PubChem CID 155005513) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide
PubChem CID155005513
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC NameN-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2ccc(F)c(NS(=O)c3ccccc3)c2)c1
InChIInChI=1S/C19H16FN3O2S/c1-13(24)22-16-9-15(11-21-12-16)14-7-8-18(20)19(10-14)23-26(25)17-5-3-2-4-6-17/h2-12,23H,1H3,(H,22,24)
InChIKeyXZKCRBKUAGAQKA-UHFFFAOYSA-N
XLogP3.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[6-methyl-5-(phenylsulfanylamino)-3-pyridinyl]-3-pyridinyl]acetamide
CID 155005478
3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide
CID 110713731
2-(2-fluorophenoxy)-N-(5-phenyl-3-pyridinyl)acetamide
CID 110713734
2-[[5-(3-chloro-4-fluorophenyl)-3-pyridinyl]amino]-2-phenylacetamide
CID 73330922
N-[3-[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]phenyl]acetamide
CID 155560591
3-[(3,5-difluorophenyl)sulfinylamino]-4-fluorobenzoic acid
CID 90946151
3-acetamido-5-[4-(aminomethyl)-3-(2,3-dichloro-N-sulfinoanilino)phenyl]pyridine
CID 174952727
N-(5-phenyl-3-pyridinyl)pyridine-2-carboxamide
CID 110742204
5-acetamido-2-fluoro-N-(2-hydroxyphenyl)benzamide
CID 60571237
N-(4-phenylphenyl)acetamide
CID 19998
5-(3-acetamidophenyl)-2-hydroxybenzoic acid
CID 10978560
N-(5-amino-3-pyridinyl)acetamide
CID 69179532

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide?
The IUPAC name of N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide (CID 155005513) is N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide is CC(=O)Nc1cncc(-c2ccc(F)c(NS(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide?
The InChIKey is XZKCRBKUAGAQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-13(24)22-16-9-15(11-21-12-16)14-7-8-18(20)19(10-14)23-26(25)17-5-3-2-4-6-17/h2-12,23H,1H3,(H,22,24).
What are the key properties of N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide?
N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide has a molecular weight of 369.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(benzenesulfinamido)-4-fluorophenyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 155005513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).