N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide

C17H22F2N4O2S — CID 133359425

IUPACN-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide
SMILESCC(CCN(C)C)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C17H22F2N4O2S/c1-12(8-9-23(2)3)21-17-7-5-14(11-20-17)26(24,25)22-13-4-6-15(18)16(19)10-13/h4-7,10-12,22H,8-9H2,1-3H3,(H,20,21)
InChIKeyJKLBHGCKAGRNCY-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.91
Rot. Bonds8

About N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide (PubChem CID 133359425) has the molecular formula C17H22F2N4O2S and a molecular weight of 384.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide
PubChem CID133359425
Molecular FormulaC17H22F2N4O2S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC NameN-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide
SMILESCC(CCN(C)C)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C17H22F2N4O2S/c1-12(8-9-23(2)3)21-17-7-5-14(11-20-17)26(24,25)22-13-4-6-15(18)16(19)10-13/h4-7,10-12,22H,8-9H2,1-3H3,(H,20,21)
InChIKeyJKLBHGCKAGRNCY-UHFFFAOYSA-N
XLogP2.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-6-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-3-sulfonamide
CID 133480767
N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide
CID 133355206
N-(3,4-difluorophenyl)-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 133359164
6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
CID 133454088
N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide
CID 133355169
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133355153
N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
CID 133338926
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide
CID 133345839
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-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
CID 133359510
N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide
CID 133354555

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide (CID 133359425) is N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide is CC(CCN(C)C)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide?
The InChIKey is JKLBHGCKAGRNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O2S/c1-12(8-9-23(2)3)21-17-7-5-14(11-20-17)26(24,25)22-13-4-6-15(18)16(19)10-13/h4-7,10-12,22H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide has a molecular weight of 384.45 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 N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133359425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).