3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide

C17H17ClF3N3O4S — CID 55638530

IUPAC3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C17H17ClF3N3O4S/c18-13-5-1-2-6-14(13)29(26,27)24-9-7-15(25)23-10-12-4-3-8-22-16(12)28-11-17(19,20)21/h1-6,8,24H,7,9-11H2,(H,23,25)
InChIKeyAOKKZSAYRKZYNS-UHFFFAOYSA-N
MW451.85 g/mol
LogP2.66
Rot. Bonds9

About 3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide

3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 55638530) has the molecular formula C17H17ClF3N3O4S and a molecular weight of 451.85 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
PubChem CID55638530
Molecular FormulaC17H17ClF3N3O4S
Molecular Weight451.85 g/mol
Exact Mass451.06
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C17H17ClF3N3O4S/c18-13-5-1-2-6-14(13)29(26,27)24-9-7-15(25)23-10-12-4-3-8-22-16(12)28-11-17(19,20)21/h1-6,8,24H,7,9-11H2,(H,23,25)
InChIKeyAOKKZSAYRKZYNS-UHFFFAOYSA-N
XLogP2.66
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.85
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38533028
1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 35672961
2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 55613890
2-nitro-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide
CID 34139784
3-[(2-chlorophenyl)sulfonylamino]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 55855014
N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 31251673
N-[(2-chlorophenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26692097
N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide
CID 56540548
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978128
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540517
2-ethoxy-N-[2-oxo-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]benzamide
CID 46424285
3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
CID 55694010

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide (CID 55638530) is 3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1cccnc1OCC(F)(F)F.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is AOKKZSAYRKZYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O4S/c18-13-5-1-2-6-14(13)29(26,27)24-9-7-15(25)23-10-12-4-3-8-22-16(12)28-11-17(19,20)21/h1-6,8,24H,7,9-11H2,(H,23,25).
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 451.85 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55638530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).