3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol

C13H17F2NO3S — CID 103269700

IUPAC3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol
SMILESO=S(=O)(c1ccc(NCC2CCC(O)C2)cc1)C(F)F
InChIInChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-5-2-10(3-6-12)16-8-9-1-4-11(17)7-9/h2-3,5-6,9,11,13,16-17H,1,4,7-8H2
InChIKeyBVYAOZMPMXEPAB-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.26
Rot. Bonds5

About 3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol

3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol (PubChem CID 103269700) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol
PubChem CID103269700
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol
SMILESO=S(=O)(c1ccc(NCC2CCC(O)C2)cc1)C(F)F
InChIInChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-5-2-10(3-6-12)16-8-9-1-4-11(17)7-9/h2-3,5-6,9,11,13,16-17H,1,4,7-8H2
InChIKeyBVYAOZMPMXEPAB-UHFFFAOYSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-(oxan-4-ylmethyl)aniline
CID 62350308
N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 106128063
4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol
CID 106130891
3-[(4-ethylsulfonylanilino)methyl]cyclobutan-1-ol
CID 66006142
4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
CID 106129965
N-(2-cyclopropylpropyl)-4-(difluoromethylsulfonyl)aniline
CID 115591435
4-(difluoromethylsulfonyl)-N-[(2-phenyloxan-3-yl)methyl]aniline
CID 47983514
4-(difluoromethylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]aniline
CID 43455316
2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzoic acid
CID 106137573
4-(difluoromethylsulfonyl)-N-(1,4-dithian-2-ylmethyl)aniline
CID 115685302
N-[4-[(3-hydroxycyclopentyl)methylsulfamoyl]phenyl]acetamide
CID 103270149
3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 106129728

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol (CID 103269700) is 3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol is O=S(=O)(c1ccc(NCC2CCC(O)C2)cc1)C(F)F.
What is the InChIKey of 3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol?
The InChIKey is BVYAOZMPMXEPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-5-2-10(3-6-12)16-8-9-1-4-11(17)7-9/h2-3,5-6,9,11,13,16-17H,1,4,7-8H2.
What are the key properties of 3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol?
3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol has a molecular weight of 305.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103269700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).