4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C17H14Cl2F3N3O4S — CID 11583895

IUPAC4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C17H14Cl2F3N3O4S/c18-10-7-14(15(23-9-10)16(26)25-3-5-29-6-4-25)24-30(27,28)11-1-2-13(19)12(8-11)17(20,21)22/h1-2,7-9,24H,3-6H2
InChIKeyWXBFLXJQLWKZHI-UHFFFAOYSA-N
MW484.28 g/mol
LogP3.68
Rot. Bonds4

About 4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11583895) has the molecular formula C17H14Cl2F3N3O4S and a molecular weight of 484.28 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11583895
Molecular FormulaC17H14Cl2F3N3O4S
Molecular Weight484.28 g/mol
Exact Mass483.00
IUPAC Name4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C17H14Cl2F3N3O4S/c18-10-7-14(15(23-9-10)16(26)25-3-5-29-6-4-25)24-30(27,28)11-1-2-13(19)12(8-11)17(20,21)22/h1-2,7-9,24H,3-6H2
InChIKeyWXBFLXJQLWKZHI-UHFFFAOYSA-N
XLogP3.68
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 16306584
US9415055, (+)2-chloro-5-methylsulfonyl-N-[2-morpholino-2-[6-(trifluoromethyl)-3-pyridyl]ethyl]benzamide
CID 73672336
N-(2-chloro-3-pyridinyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1217142
US9394307, N-(2-{1H,3aH,7aH-pyrrolo[2,3-b]pyridine-4-carbonyl}-5-chloropyridin-3-yl)-4-chloro-3-(trifluoromethyl)benzene-1-sulfonamide
CID 57870818
4-Chloro-3-(morpholine-4-sulfonyl)-N-pyridin-3-yl-benzamide
CID 1091828
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
4-Chloro-N-[5-chloro-2-(2-methyl-pyridine-3-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11554943
4-Chloro-N-[5-chloro-2-(6-methyl-pyridine-3-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11554944
4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554992
4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11555803
4-chloro-N-[5-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11562266
4-chloro-N-[5-chloro-2-(3-chlorobenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11577085

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 11583895) is 4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WXBFLXJQLWKZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3N3O4S/c18-10-7-14(15(23-9-10)16(26)25-3-5-29-6-4-25)24-30(27,28)11-1-2-13(19)12(8-11)17(20,21)22/h1-2,7-9,24H,3-6H2.
What are the key properties of 4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 484.28 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(morpholine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11583895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).