N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide

C22H26F3NO3S — CID 11976935

IUPACN-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1(Cc2ccc(CCO)cc2)CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H26F3NO3S/c23-22(24,25)19-4-3-5-20(14-19)30(28,29)26-16-21(11-1-2-12-21)15-18-8-6-17(7-9-18)10-13-27/h3-9,14,26-27H,1-2,10-13,15-16H2
InChIKeySRFBQFLXCWHIPX-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.32
Rot. Bonds8

About N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11976935) has the molecular formula C22H26F3NO3S and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11976935
Molecular FormulaC22H26F3NO3S
Molecular Weight441.52 g/mol
Exact Mass441.16
IUPAC NameN-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1(Cc2ccc(CCO)cc2)CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H26F3NO3S/c23-22(24,25)19-4-3-5-20(14-19)30(28,29)26-16-21(11-1-2-12-21)15-18-8-6-17(7-9-18)10-13-27/h3-9,14,26-27H,1-2,10-13,15-16H2
InChIKeySRFBQFLXCWHIPX-UHFFFAOYSA-N
XLogP4.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]furan-2-sulfonamide
CID 18999495
4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
CID 11976887
N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122572400
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723191
2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid
CID 18999492
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984
3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114749959
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550778
ethyl 4-[4-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenyl]butanoate
CID 23037560
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55337425
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55414677

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 11976935) is N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1(Cc2ccc(CCO)cc2)CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SRFBQFLXCWHIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO3S/c23-22(24,25)19-4-3-5-20(14-19)30(28,29)26-16-21(11-1-2-12-21)15-18-8-6-17(7-9-18)10-13-27/h3-9,14,26-27H,1-2,10-13,15-16H2.
What are the key properties of N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 441.52 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11976935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).