tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate

C16H22Cl2N2O4S — CID 24953157

IUPACtert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O4S/c1-16(2,3)24-15(21)20-9-7-11(8-10-20)19-25(22,23)13-6-4-5-12(17)14(13)18/h4-6,11,19H,7-10H2,1-3H3
InChIKeyFBIATNOUFDEXJY-UHFFFAOYSA-N
MW409.34 g/mol
LogP3.67
Rot. Bonds3

About tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate

tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 24953157) has the molecular formula C16H22Cl2N2O4S and a molecular weight of 409.34 g/mol. Its IUPAC name is tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID24953157
Molecular FormulaC16H22Cl2N2O4S
Molecular Weight409.34 g/mol
Exact Mass408.07
IUPAC Nametert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O4S/c1-16(2,3)24-15(21)20-9-7-11(8-10-20)19-25(22,23)13-6-4-5-12(17)14(13)18/h4-6,11,19H,7-10H2,1-3H3
InChIKeyFBIATNOUFDEXJY-UHFFFAOYSA-N
XLogP3.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]piperidine-1-carboxylate
CID 69491693
tert-butyl 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 55987776
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfamoyl]benzoic acid
CID 53255861
tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256090
tert-butyl 4-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 143568268
tert-butyl 4-[(4-methoxycarbonylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256088
tert-butyl 3-(2,3-dichlorophenoxy)pyrrolidine-1-carboxylate
CID 69451031
tert-butyl 3-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 71432777
dimethyl (E)-2-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfamoyl]anilino]but-2-enedioate
CID 168568765
tert-butyl 4-[(2,6-dichlorophenyl)methylsulfonyl-methylamino]piperidine-1-carboxylate
CID 71647204
tert-butyl 4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 169372481
tert-butyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 168518895

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate (CID 24953157) is tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is FBIATNOUFDEXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O4S/c1-16(2,3)24-15(21)20-9-7-11(8-10-20)19-25(22,23)13-6-4-5-12(17)14(13)18/h4-6,11,19H,7-10H2,1-3H3.
What are the key properties of tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate?
tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 409.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 24953157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).