N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide

C17H19F2N3O3S — CID 133496593

IUPACN-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCC2(CCO)CC2)nc1
InChIInChI=1S/C17H19F2N3O3S/c18-14-3-1-12(9-15(14)19)22-26(24,25)13-2-4-16(20-10-13)21-11-17(5-6-17)7-8-23/h1-4,9-10,22-23H,5-8,11H2,(H,20,21)
InChIKeyMSGYEXRAWWUVFK-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.74
Rot. Bonds8

About N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide (PubChem CID 133496593) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide
PubChem CID133496593
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC NameN-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCC2(CCO)CC2)nc1
InChIInChI=1S/C17H19F2N3O3S/c18-14-3-1-12(9-15(14)19)22-26(24,25)13-2-4-16(20-10-13)21-11-17(5-6-17)7-8-23/h1-4,9-10,22-23H,5-8,11H2,(H,20,21)
InChIKeyMSGYEXRAWWUVFK-UHFFFAOYSA-N
XLogP2.74
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268211
2-[(4-fluorophenyl)amino]-N-methylpyridine-3-sulfonamide
CID 49664216
2-[(4-fluorophenyl)amino]-N-phenylpyridine-3-sulfonamide
CID 50845301
1-(cyclopropylcarbonyl)-N-{2-[2-(2-thienyl)-1,3-thiazol-4-yl]ethyl}piperidine-4-carboxamide
CID 50845350
N-(4-Fluorophenyl)-2-[(3-fluorophenyl)amino]pyridine-3-sulfonamide
CID 50845440
N-(4-Fluorophenyl)-2-[(4-fluorophenyl)amino]pyridine-3-sulfonamide
CID 50845441
2-[(3,4-difluorophenyl)amino]-N-(4-fluorophenyl)pyridine-3-sulfonamide
CID 50845460
N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 53151362
N~3~-ethyl-2-(2-fluoroanilino)-3-pyridinesulfonamide
CID 53151408
N-Ethyl-2-[(3-fluorophenyl)amino]pyridine-3-sulfonamide
CID 53151409
N-Ethyl-2-[(4-fluorophenyl)amino]pyridine-3-sulfonamide
CID 53151410
4-[(5-Pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 8891405

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide (CID 133496593) is N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCC2(CCO)CC2)nc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide?
The InChIKey is MSGYEXRAWWUVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c18-14-3-1-12(9-15(14)19)22-26(24,25)13-2-4-16(20-10-13)21-11-17(5-6-17)7-8-23/h1-4,9-10,22-23H,5-8,11H2,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide has a molecular weight of 383.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133496593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).