3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide

C13H11ClF3N3O2S — CID 31980902

IUPAC3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C13H11ClF3N3O2S/c14-11-5-9(13(15,16)17)7-20-12(11)19-6-8-2-1-3-10(4-8)23(18,21)22/h1-5,7H,6H2,(H,19,20)(H2,18,21,22)
InChIKeyQEEDFNVZWBWTGU-UHFFFAOYSA-N
MW365.76 g/mol
LogP3.01
Rot. Bonds4

About 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide

3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide (PubChem CID 31980902) has the molecular formula C13H11ClF3N3O2S and a molecular weight of 365.76 g/mol. Its IUPAC name is 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide
PubChem CID31980902
Molecular FormulaC13H11ClF3N3O2S
Molecular Weight365.76 g/mol
Exact Mass365.02
IUPAC Name3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C13H11ClF3N3O2S/c14-11-5-9(13(15,16)17)7-20-12(11)19-6-8-2-1-3-10(4-8)23(18,21)22/h1-5,7H,6H2,(H,19,20)(H2,18,21,22)
InChIKeyQEEDFNVZWBWTGU-UHFFFAOYSA-N
XLogP3.01
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.76
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide
CID 133286489
(1S)-1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]ethanol
CID 97020715
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 82737497
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2,6-difluorobenzenesulfonamide
CID 35405703
N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 47982074
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 3847361
N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 78983980
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-fluorobenzenesulfonamide
CID 3710970
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 133418607
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27888872

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide (CID 31980902) is 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide?
The InChIKey is QEEDFNVZWBWTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O2S/c14-11-5-9(13(15,16)17)7-20-12(11)19-6-8-2-1-3-10(4-8)23(18,21)22/h1-5,7H,6H2,(H,19,20)(H2,18,21,22).
What are the key properties of 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide?
3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide has a molecular weight of 365.76 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 31980902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).