N-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane

C22H24ClN3O3S — CID 144646981

IUPACN-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane
SMILESCC.[H]/N=C(\c1ccc(OC)cc1)c1c(Cl)ccnc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H18ClN3O3S.C2H6/c1-13-3-9-16(10-4-13)28(25,26)24-20-18(17(21)11-12-23-20)19(22)14-5-7-15(27-2)8-6-14;1-2/h3-12,22H,1-2H3,(H,23,24);1-2H3/b22-19+;
InChIKeyLTHJVCYNKJIJKI-KWNKHXGFSA-N
MW445.97 g/mol
LogP5.30
Rot. Bonds6

About N-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane

N-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane (PubChem CID 144646981) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is N-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane.

Molecular Properties

Compound NameN-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane
PubChem CID144646981
Molecular FormulaC22H24ClN3O3S
Molecular Weight445.97 g/mol
Exact Mass445.12
IUPAC NameN-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane
SMILESCC.[H]/N=C(\c1ccc(OC)cc1)c1c(Cl)ccnc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H18ClN3O3S.C2H6/c1-13-3-9-16(10-4-13)28(25,26)24-20-18(17(21)11-12-23-20)19(22)14-5-7-15(27-2)8-6-14;1-2/h3-12,22H,1-2H3,(H,23,24);1-2H3/b22-19+;
InChIKeyLTHJVCYNKJIJKI-KWNKHXGFSA-N
XLogP5.30
TPSA92.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.97
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(6-Methoxy-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 44525560
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzenesulfonamide
CID 53312065
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzenesulfonamide
CID 53312148
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-cyclopropyl-benzenesulfonamide
CID 67325548
3-(6-Methoxy-3-pyridyl)-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridin-2-amine
CID 68305341
6-methoxy-N-pyridin-2-ylnaphthalene-2-sulfonamide
CID 747350
6-[2-(4-Methoxyphenyl)ethylamino]pyridine-3-sulfonamide
CID 9405815
N-(5-Chloro-pyridin-2-yl)-5-isopropyl-2-methoxy-benzenesulfonamide
CID 648225
2-methoxy-5-propan-2-yl-N-(2-pyridinyl)benzenesulfonamide
CID 977116
4-[[(3S,4R)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 89555963
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzenesulfonamide
CID 53311066
N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide
CID 4338178

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane?
The IUPAC name of N-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane (CID 144646981) is N-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane.
What is the SMILES notation for N-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane?
The canonical SMILES for N-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane is CC.[H]/N=C(\c1ccc(OC)cc1)c1c(Cl)ccnc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane?
The InChIKey is LTHJVCYNKJIJKI-KWNKHXGFSA-N. The full InChI is InChI=1S/C20H18ClN3O3S.C2H6/c1-13-3-9-16(10-4-13)28(25,26)24-20-18(17(21)11-12-23-20)19(22)14-5-7-15(27-2)8-6-14;1-2/h3-12,22H,1-2H3,(H,23,24);1-2H3/b22-19+;.
What are the key properties of N-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane?
N-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane has a molecular weight of 445.97 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4-methoxybenzenecarboximidoyl)-2-pyridinyl]-4-methylbenzenesulfonamide;ethane is sourced from PubChem (CID 144646981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).