4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide

C13H10ClF3N2O3S — CID 42992378

IUPAC4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H10ClF3N2O3S/c1-22-12-5-2-8(7-18-12)19-23(20,21)9-3-4-11(14)10(6-9)13(15,16)17/h2-7,19H,1H3
InChIKeyYVSMMGQGFUCJDM-UHFFFAOYSA-N
MW366.75 g/mol
LogP3.56
Rot. Bonds4

About 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 42992378) has the molecular formula C13H10ClF3N2O3S and a molecular weight of 366.75 g/mol. Its IUPAC name is 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID42992378
Molecular FormulaC13H10ClF3N2O3S
Molecular Weight366.75 g/mol
Exact Mass366.01
IUPAC Name4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H10ClF3N2O3S/c1-22-12-5-2-8(7-18-12)19-23(20,21)9-3-4-11(14)10(6-9)13(15,16)17/h2-7,19H,1H3
InChIKeyYVSMMGQGFUCJDM-UHFFFAOYSA-N
XLogP3.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-3-methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 609536
1-(2-chlorophenyl)-N-(6-methoxypyridin-3-yl)methanesulfonamide
CID 715023
5-chloro-2-methoxy-4-methyl-N-(3-pyridinyl)benzenesulfonamide
CID 6473097
5-chloro-2-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 89768280
US10370333, Example I-2
CID 89775325
N-{5-[(1E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide
CID 146171270
3-chloro-4-fluoro-N-(6-methoxypyridin-3-yl)benzene-1-sulfonamide
CID 2471797
5-chloro-2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472631
6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
CID 8933114
2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2414064
2-Methoxy-5-methyl-N-pyridin-3-yl-benzenesulfonamide
CID 645853
[(4-Chloro-2-methoxyphenyl)sulfonyl]-3-pyridylamine
CID 50876360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide (CID 42992378) is 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1.
What is the InChIKey of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YVSMMGQGFUCJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O3S/c1-22-12-5-2-8(7-18-12)19-23(20,21)9-3-4-11(14)10(6-9)13(15,16)17/h2-7,19H,1H3.
What are the key properties of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 366.75 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 42992378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).