2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide

C17H19F2N3O3S2 — CID 90500480

IUPAC2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESO=C(c1ccsc1)N1CCN(CCNS(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H19F2N3O3S2/c18-14-1-2-15(19)16(11-14)27(24,25)20-4-5-21-6-8-22(9-7-21)17(23)13-3-10-26-12-13/h1-3,10-12,20H,4-9H2
InChIKeyXPBMGQQXCXCDIR-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.76
Rot. Bonds6

About 2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide

2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 90500480) has the molecular formula C17H19F2N3O3S2 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
PubChem CID90500480
Molecular FormulaC17H19F2N3O3S2
Molecular Weight415.49 g/mol
Exact Mass415.08
IUPAC Name2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESO=C(c1ccsc1)N1CCN(CCNS(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H19F2N3O3S2/c18-14-1-2-15(19)16(11-14)27(24,25)20-4-5-21-6-8-22(9-7-21)17(23)13-3-10-26-12-13/h1-3,10-12,20H,4-9H2
InChIKeyXPBMGQQXCXCDIR-UHFFFAOYSA-N
XLogP1.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500434
N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500457
2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500432
2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 42267664
1-(3-methylphenyl)-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
CID 90500443
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide
CID 110397721
2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103824
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 46478996
N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
CID 71782823
[4-[2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 56815066

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide (CID 90500480) is 2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide is O=C(c1ccsc1)N1CCN(CCNS(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is XPBMGQQXCXCDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S2/c18-14-1-2-15(19)16(11-14)27(24,25)20-4-5-21-6-8-22(9-7-21)17(23)13-3-10-26-12-13/h1-3,10-12,20H,4-9H2.
What are the key properties of 2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 415.49 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90500480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).