2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide

C18H20F2N2O4S2 — CID 19684545

IUPAC2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C18H20F2N2O4S2/c1-13-4-2-3-11-22(13)28(25,26)16-8-6-15(7-9-16)21-27(23,24)18-12-14(19)5-10-17(18)20/h5-10,12-13,21H,2-4,11H2,1H3
InChIKeyOMQCVVAREUXJRK-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.33
Rot. Bonds5

About 2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide

2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide (PubChem CID 19684545) has the molecular formula C18H20F2N2O4S2 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
PubChem CID19684545
Molecular FormulaC18H20F2N2O4S2
Molecular Weight430.50 g/mol
Exact Mass430.08
IUPAC Name2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C18H20F2N2O4S2/c1-13-4-2-3-11-22(13)28(25,26)16-8-6-15(7-9-16)21-27(23,24)18-12-14(19)5-10-17(18)20/h5-10,12-13,21H,2-4,11H2,1H3
InChIKeyOMQCVVAREUXJRK-UHFFFAOYSA-N
XLogP3.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5,6-tetramethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 17301180
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684541
3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684542
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine
CID 43454697
N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9096526
2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43107737
4-fluoro-2-(2-methylazepan-1-yl)sulfonylbenzoic acid
CID 102919549
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
CID 19684559

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide (CID 19684545) is 2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide is CC1CCCCN1S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of 2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The InChIKey is OMQCVVAREUXJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S2/c1-13-4-2-3-11-22(13)28(25,26)16-8-6-15(7-9-16)21-27(23,24)18-12-14(19)5-10-17(18)20/h5-10,12-13,21H,2-4,11H2,1H3.
What are the key properties of 2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide has a molecular weight of 430.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide is sourced from PubChem (CID 19684545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).