N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

C13H17F3N2O3S — CID 122572400

IUPACN-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3S/c14-13(15,16)10-3-1-4-11(7-10)22(20,21)18-9-12(19)5-2-6-17-8-12/h1,3-4,7,17-19H,2,5-6,8-9H2
InChIKeySWVVJNVJKCUAJB-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.10
Rot. Bonds4

About N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 122572400) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID122572400
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC NameN-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3S/c14-13(15,16)10-3-1-4-11(7-10)22(20,21)18-9-12(19)5-2-6-17-8-12/h1,3-4,7,17-19H,2,5-6,8-9H2
InChIKeySWVVJNVJKCUAJB-UHFFFAOYSA-N
XLogP1.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125443896
N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440803
3,4-difluoro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440671
N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11976935
N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 77088762
3-(azepane-1-carbonyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]benzenesulfonamide
CID 97201837
3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122167
N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720704
N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119979230
3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 113498452
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120858617

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 122572400) is N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1(O)CCCNC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SWVVJNVJKCUAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c14-13(15,16)10-3-1-4-11(7-10)22(20,21)18-9-12(19)5-2-6-17-8-12/h1,3-4,7,17-19H,2,5-6,8-9H2.
What are the key properties of N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 338.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 122572400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).