3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide

C18H11Cl3N2O2S — CID 143609958

IUPAC3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide
SMILESO=C(c1ccccn1)c1cc(Cl)ccc1NS(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H11Cl3N2O2S/c19-11-4-7-16(13(9-11)18(24)17-3-1-2-8-22-17)23-26(25)12-5-6-14(20)15(21)10-12/h1-10,23H
InChIKeyJETTZENWFIYDRT-UHFFFAOYSA-N
MW425.72 g/mol
LogP5.41
Rot. Bonds5

About 3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide

3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide (PubChem CID 143609958) has the molecular formula C18H11Cl3N2O2S and a molecular weight of 425.72 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide
PubChem CID143609958
Molecular FormulaC18H11Cl3N2O2S
Molecular Weight425.72 g/mol
Exact Mass423.96
IUPAC Name3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide
SMILESO=C(c1ccccn1)c1cc(Cl)ccc1NS(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H11Cl3N2O2S/c19-11-4-7-16(13(9-11)18(24)17-3-1-2-8-22-17)23-26(25)12-5-6-14(20)15(21)10-12/h1-10,23H
InChIKeyJETTZENWFIYDRT-UHFFFAOYSA-N
XLogP5.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.72
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide
CID 58979554
4-tert-butyl-N-[4-chloro-2-(1-methylindazole-3-carbonyl)phenyl]benzenesulfinamide
CID 143141395
(2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone
CID 125473502
N-[2-[(5-chloro-2-methoxybenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834271
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
(3,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 24723586
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
N-(6-chloroquinolin-4-yl)pyridine-2-carboxamide
CID 17016566
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956
2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide
CID 158180443

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide?
The IUPAC name of 3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide (CID 143609958) is 3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide.
What is the SMILES notation for 3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide?
The canonical SMILES for 3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide is O=C(c1ccccn1)c1cc(Cl)ccc1NS(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide?
The InChIKey is JETTZENWFIYDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl3N2O2S/c19-11-4-7-16(13(9-11)18(24)17-3-1-2-8-22-17)23-26(25)12-5-6-14(20)15(21)10-12/h1-10,23H.
What are the key properties of 3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide?
3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide has a molecular weight of 425.72 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide is sourced from PubChem (CID 143609958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).