[4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone

C17H21ClF2N2O4S — CID 55681773

IUPAC[4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1
InChIInChI=1S/C17H21ClF2N2O4S/c18-14-11-13(5-6-15(14)26-17(19)20)27(24,25)22-9-7-21(8-10-22)16(23)12-3-1-2-4-12/h5-6,11-12,17H,1-4,7-10H2
InChIKeyMDYGSQCHPPIQPQ-UHFFFAOYSA-N
MW422.88 g/mol
LogP2.96
Rot. Bonds5

About [4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone

[4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone (PubChem CID 55681773) has the molecular formula C17H21ClF2N2O4S and a molecular weight of 422.88 g/mol. Its IUPAC name is [4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone
PubChem CID55681773
Molecular FormulaC17H21ClF2N2O4S
Molecular Weight422.88 g/mol
Exact Mass422.09
IUPAC Name[4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1
InChIInChI=1S/C17H21ClF2N2O4S/c18-14-11-13(5-6-15(14)26-17(19)20)27(24,25)22-9-7-21(8-10-22)16(23)12-3-1-2-4-12/h5-6,11-12,17H,1-4,7-10H2
InChIKeyMDYGSQCHPPIQPQ-UHFFFAOYSA-N
XLogP2.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797098
(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 102977579
(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine
CID 115301754
(3S)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993450
[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 126395426
1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714814
[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 7368559
[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 2983595
1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 1093373
1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-3-methylpyrrolidin-3-ol
CID 103871459
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 8699978
1-[1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583103

Frequently Asked Questions

What is the IUPAC name of [4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone (CID 55681773) is [4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1.
What is the InChIKey of [4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone?
The InChIKey is MDYGSQCHPPIQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF2N2O4S/c18-14-11-13(5-6-15(14)26-17(19)20)27(24,25)22-9-7-21(8-10-22)16(23)12-3-1-2-4-12/h5-6,11-12,17H,1-4,7-10H2.
What are the key properties of [4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone?
[4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone has a molecular weight of 422.88 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 55681773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).