tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate

C17H21N3O4S — CID 59166177

IUPACtert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)OC(C)(C)C)n2)cc1
InChIInChI=1S/C17H21N3O4S/c1-17(2,3)24-16(21)20-15-7-5-6-14(19-15)12-8-10-13(11-9-12)25(22,23)18-4/h5-11,18H,1-4H3,(H,19,20,21)
InChIKeySOCFKFXGOIOMTC-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.00
Rot. Bonds4

About tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate

tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate (PubChem CID 59166177) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate
PubChem CID59166177
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Nametert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)OC(C)(C)C)n2)cc1
InChIInChI=1S/C17H21N3O4S/c1-17(2,3)24-16(21)20-15-7-5-6-14(19-15)12-8-10-13(11-9-12)25(22,23)18-4/h5-11,18H,1-4H3,(H,19,20,21)
InChIKeySOCFKFXGOIOMTC-UHFFFAOYSA-N
XLogP3.00
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate
CID 171682686
tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-3,4-dihydropyridin-2-yl]carbamate
CID 130349727
N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen
CID 159191136
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate
CID 175684385
tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate
CID 11739198
4-(6-acetamido-2-pyridinyl)benzoic acid
CID 141378052
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
tert-butyl N-[3-[4-(methylsulfamoyl)anilino]propyl]carbamate
CID 103821850
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(methylsulfamoyl)phenyl]phenyl]carbamate
CID 67165098

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate (CID 59166177) is tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate is CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)OC(C)(C)C)n2)cc1.
What is the InChIKey of tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate?
The InChIKey is SOCFKFXGOIOMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-17(2,3)24-16(21)20-15-7-5-6-14(19-15)12-8-10-13(11-9-12)25(22,23)18-4/h5-11,18H,1-4H3,(H,19,20,21).
What are the key properties of tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate?
tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate has a molecular weight of 363.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 59166177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).