6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide

C18H22F2N4O2S — CID 133454088

IUPAC6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
SMILESCN(C)C(CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)C1CC1
InChIInChI=1S/C18H22F2N4O2S/c1-24(2)17(12-3-4-12)11-22-18-8-6-14(10-21-18)27(25,26)23-13-5-7-15(19)16(20)9-13/h5-10,12,17,23H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyUCKLJMLYOCTROK-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.91
Rot. Bonds8

About 6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide

6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide (PubChem CID 133454088) has the molecular formula C18H22F2N4O2S and a molecular weight of 396.46 g/mol. Its IUPAC name is 6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
PubChem CID133454088
Molecular FormulaC18H22F2N4O2S
Molecular Weight396.46 g/mol
Exact Mass396.14
IUPAC Name6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
SMILESCN(C)C(CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)C1CC1
InChIInChI=1S/C18H22F2N4O2S/c1-24(2)17(12-3-4-12)11-22-18-8-6-14(10-21-18)27(25,26)23-13-5-7-15(19)16(20)9-13/h5-10,12,17,23H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyUCKLJMLYOCTROK-UHFFFAOYSA-N
XLogP2.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide with MolForge

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Related Compounds

N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133355153
N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide
CID 133359425
N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
CID 133338926
N-(3,4-difluorophenyl)-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 133359164
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide
CID 133345839
N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide
CID 133354555
N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide
CID 133496593
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528
N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144412
N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide
CID 133355206
N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide
CID 133390354
N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide
CID 133338957

Frequently Asked Questions

What is the IUPAC name of 6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide (CID 133454088) is 6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide is CN(C)C(CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)C1CC1.
What is the InChIKey of 6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide?
The InChIKey is UCKLJMLYOCTROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2S/c1-24(2)17(12-3-4-12)11-22-18-8-6-14(10-21-18)27(25,26)23-13-5-7-15(19)16(20)9-13/h5-10,12,17,23H,3-4,11H2,1-2H3,(H,21,22).
What are the key properties of 6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide?
6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide has a molecular weight of 396.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 133454088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).