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

C18H20F3N3O2S — CID 42267664

IUPAC2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCN(c2ccc(F)cc2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C18H20F3N3O2S/c19-14-1-4-16(5-2-14)24-11-9-23(10-12-24)8-7-22-27(25,26)18-13-15(20)3-6-17(18)21/h1-6,13,22H,7-12H2
InChIKeyBXLHXVVDWDQQDH-UHFFFAOYSA-N
MW399.44 g/mol
LogP2.20
Rot. Bonds6

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

2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 42267664) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide
PubChem CID42267664
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC Name2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCN(c2ccc(F)cc2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C18H20F3N3O2S/c19-14-1-4-16(5-2-14)24-11-9-23(10-12-24)8-7-22-27(25,26)18-13-15(20)3-6-17(18)21/h1-6,13,22H,7-12H2
InChIKeyBXLHXVVDWDQQDH-UHFFFAOYSA-N
XLogP2.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42389269
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 42267676
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide
CID 42267593
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 42267714
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 42267769
3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide
CID 42267989
2,5-difluoro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500480
3,4-difluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42428630
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-nitrobenzenesulfonamide
CID 42389429
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 42389503
2-bromo-4-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530910
2-amino-5-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60986198

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide (CID 42267664) is 2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCN1CCN(c2ccc(F)cc2)CC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is BXLHXVVDWDQQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c19-14-1-4-16(5-2-14)24-11-9-23(10-12-24)8-7-22-27(25,26)18-13-15(20)3-6-17(18)21/h1-6,13,22H,7-12H2.
What are the key properties of 2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide?
2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 399.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 42267664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).