tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate

C19H23FN2O4S — CID 169373025

IUPACtert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2N(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H23FN2O4S/c1-13-6-9-15(10-7-13)27(24,25)21-16-11-8-14(20)12-17(16)22(5)18(23)26-19(2,3)4/h6-12,21H,1-5H3
InChIKeyWLKIPTJALNKNGF-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.31
Rot. Bonds4

About tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate

tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate (PubChem CID 169373025) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate
PubChem CID169373025
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Nametert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2N(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H23FN2O4S/c1-13-6-9-15(10-7-13)27(24,25)21-16-11-8-14(20)12-17(16)22(5)18(23)26-19(2,3)4/h6-12,21H,1-5H3
InChIKeyWLKIPTJALNKNGF-UHFFFAOYSA-N
XLogP4.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate
CID 150785471
tert-butyl N-(5-fluoro-2-nitrophenyl)-N-methylcarbamate
CID 135346466
tert-butyl 3-hydroxy-4-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372622
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
CID 153295632
N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide
CID 169371660
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
5-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 59566201
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate
CID 71742918
3-fluoro-4-hydroxy-5-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169373067
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 24656665
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate (CID 169373025) is tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2N(C)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate?
The InChIKey is WLKIPTJALNKNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-13-6-9-15(10-7-13)27(24,25)21-16-11-8-14(20)12-17(16)22(5)18(23)26-19(2,3)4/h6-12,21H,1-5H3.
What are the key properties of tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate?
tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate has a molecular weight of 394.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate is sourced from PubChem (CID 169373025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).