3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide

C19H15Cl3N2O4S — CID 71190450

IUPAC3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide
SMILESCOCc1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H15Cl3N2O4S/c1-27-11-12-3-2-4-14(7-12)28-19-18(8-13(20)10-23-19)24-29(25,26)15-5-6-16(21)17(22)9-15/h2-10,24H,11H2,1H3
InChIKeyFPGWPUTVMNUCGO-UHFFFAOYSA-N
MW473.77 g/mol
LogP5.78
Rot. Bonds7

About 3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide

3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide (PubChem CID 71190450) has the molecular formula C19H15Cl3N2O4S and a molecular weight of 473.77 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide
PubChem CID71190450
Molecular FormulaC19H15Cl3N2O4S
Molecular Weight473.77 g/mol
Exact Mass471.98
IUPAC Name3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide
SMILESCOCc1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H15Cl3N2O4S/c1-27-11-12-3-2-4-14(7-12)28-19-18(8-13(20)10-23-19)24-29(25,26)15-5-6-16(21)17(22)9-15/h2-10,24H,11H2,1H3
InChIKeyFPGWPUTVMNUCGO-UHFFFAOYSA-N
XLogP5.78
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.77
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 59850007
methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate
CID 59849998
3,4-dichloro-N-[5-chloro-2-[3-[[[(2S)-2-(hydroxymethyl)-3-(1H-imidazol-5-yl)propyl]amino]methyl]phenoxy]-3-pyridinyl]benzenesulfonamide
CID 59849925
3,4-dichloro-N-[5-chloro-2-[4-[(2-cyclopentylethylamino)methyl]phenoxy]-3-pyridinyl]benzenesulfonamide
CID 59849845
3,4-dichloro-N-[5-chloro-2-[4-[(2-piperidin-1-ylethylamino)methyl]phenoxy]-3-pyridinyl]benzenesulfonamide
CID 59849818
3,4-dichloro-N-[5-chloro-2-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenoxy]-3-pyridinyl]benzenesulfonamide
CID 59849957
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride
CID 115928514
3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 106611620
3,4-dichloro-N-[5-chloro-2-[4-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]phenoxy]-3-pyridinyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 87747839
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 59849946

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide (CID 71190450) is 3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide is COCc1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide?
The InChIKey is FPGWPUTVMNUCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O4S/c1-27-11-12-3-2-4-14(7-12)28-19-18(8-13(20)10-23-19)24-29(25,26)15-5-6-16(21)17(22)9-15/h2-10,24H,11H2,1H3.
What are the key properties of 3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide?
3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide has a molecular weight of 473.77 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-chloro-2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 71190450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).