2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide

C17H17ClFN3O3S — CID 9081742

IUPAC2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl
InChIInChI=1S/C17H17ClFN3O3S/c18-15-6-1-12(11-16(15)26(20,24)25)17(23)22-9-7-21(8-10-22)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2,(H2,20,24,25)
InChIKeyVOIRDDVPSNJQGA-UHFFFAOYSA-N
MW397.86 g/mol
LogP2.09
Rot. Bonds3

About 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide

2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 9081742) has the molecular formula C17H17ClFN3O3S and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID9081742
Molecular FormulaC17H17ClFN3O3S
Molecular Weight397.86 g/mol
Exact Mass397.07
IUPAC Name2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl
InChIInChI=1S/C17H17ClFN3O3S/c18-15-6-1-12(11-16(15)26(20,24)25)17(23)22-9-7-21(8-10-22)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2,(H2,20,24,25)
InChIKeyVOIRDDVPSNJQGA-UHFFFAOYSA-N
XLogP2.09
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 4790784
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone chloride
CID 53350574
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 4173516
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
(4-chloro-3-methylsulfonylphenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777646
4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 3262769
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2450838
2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide
CID 58107415
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide (CID 9081742) is 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is VOIRDDVPSNJQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O3S/c18-15-6-1-12(11-16(15)26(20,24)25)17(23)22-9-7-21(8-10-22)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2,(H2,20,24,25).
What are the key properties of 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide?
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 397.86 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 9081742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).