1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine

C13H16BrFN2O2S — CID 116528277

IUPAC1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine
SMILESO=S(=O)(c1ccc(Br)cc1F)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H16BrFN2O2S/c14-10-1-4-13(12(15)9-10)20(18,19)17-7-5-16(6-8-17)11-2-3-11/h1,4,9,11H,2-3,5-8H2
InChIKeyUXWOJPINNYOAGE-UHFFFAOYSA-N
MW363.25 g/mol
LogP2.06
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine

1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine (PubChem CID 116528277) has the molecular formula C13H16BrFN2O2S and a molecular weight of 363.25 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine
PubChem CID116528277
Molecular FormulaC13H16BrFN2O2S
Molecular Weight363.25 g/mol
Exact Mass362.01
IUPAC Name1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine
SMILESO=S(=O)(c1ccc(Br)cc1F)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H16BrFN2O2S/c14-10-1-4-13(12(15)9-10)20(18,19)17-7-5-16(6-8-17)11-2-3-11/h1,4,9,11H,2-3,5-8H2
InChIKeyUXWOJPINNYOAGE-UHFFFAOYSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 116528265
4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 116528119
1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708382
7-(4-bromo-2-fluorophenyl)sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 116528707
[1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 116527858
1-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149
9-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 69081813
(3S)-3-[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]thiolane 1,1-dioxide
CID 8818286
5-(4-bromo-2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116527932
1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine
CID 116528534
1-(4-bromo-2-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 116528215
4-(4-bromo-2-fluorophenyl)sulfonyl-1,2,6-trimethylpiperazine
CID 114389646

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine (CID 116528277) is 1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine is O=S(=O)(c1ccc(Br)cc1F)N1CCN(C2CC2)CC1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine?
The InChIKey is UXWOJPINNYOAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2S/c14-10-1-4-13(12(15)9-10)20(18,19)17-7-5-16(6-8-17)11-2-3-11/h1,4,9,11H,2-3,5-8H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine?
1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine has a molecular weight of 363.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine is sourced from PubChem (CID 116528277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).