tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate

C14H21FN2O4S — CID 162727302

IUPACtert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate
SMILESCc1ccc(NC(=O)OC(C)(C)C)c(F)c1S(=O)(=O)N(C)C
InChIInChI=1S/C14H21FN2O4S/c1-9-7-8-10(16-13(18)21-14(2,3)4)11(15)12(9)22(19,20)17(5)6/h7-8H,1-6H3,(H,16,18)
InChIKeyCIEGGVACDIMNEU-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.73
Rot. Bonds3

About tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate

tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate (PubChem CID 162727302) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate
PubChem CID162727302
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC Nametert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate
SMILESCc1ccc(NC(=O)OC(C)(C)C)c(F)c1S(=O)(=O)N(C)C
InChIInChI=1S/C14H21FN2O4S/c1-9-7-8-10(16-13(18)21-14(2,3)4)11(15)12(9)22(19,20)17(5)6/h7-8H,1-6H3,(H,16,18)
InChIKeyCIEGGVACDIMNEU-UHFFFAOYSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-tert-butylsulfonyl-3-methylphenyl)carbamate
CID 14267498
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CID 165144923
tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate
CID 130882959
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(2-fluoro-3-formyl-4-methoxyphenyl)carbamate
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tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate
CID 118622100
[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] methanesulfonate
CID 25147172
tert-butyl N-[4-bromo-2-fluoro-3-(2-methylbenzoyl)phenyl]carbamate
CID 177164481
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
tert-butyl N-(2,3,5-trifluoro-4-methylphenyl)carbamate
CID 170026832
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate
CID 68582591

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate (CID 162727302) is tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate is Cc1ccc(NC(=O)OC(C)(C)C)c(F)c1S(=O)(=O)N(C)C.
What is the InChIKey of tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate?
The InChIKey is CIEGGVACDIMNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-9-7-8-10(16-13(18)21-14(2,3)4)11(15)12(9)22(19,20)17(5)6/h7-8H,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate?
tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate has a molecular weight of 332.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate is sourced from PubChem (CID 162727302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).