tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate

C12H18N2O4S — CID 65142606

IUPACtert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
SMILESCc1c(NC(=O)OC(C)(C)C)cccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O4S/c1-8-9(14-11(15)18-12(2,3)4)6-5-7-10(8)19(13,16)17/h5-7H,1-4H3,(H,14,15)(H2,13,16,17)
InChIKeyINXHXLPOWWYRED-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.99
Rot. Bonds2

About tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate

tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate (PubChem CID 65142606) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
PubChem CID65142606
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Nametert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
SMILESCc1c(NC(=O)OC(C)(C)C)cccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O4S/c1-8-9(14-11(15)18-12(2,3)4)6-5-7-10(8)19(13,16)17/h5-7H,1-4H3,(H,14,15)(H2,13,16,17)
InChIKeyINXHXLPOWWYRED-UHFFFAOYSA-N
XLogP1.99
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate
CID 44549792
methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate
CID 114465998
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-(2-tert-butylsulfonyl-3-methylphenyl)carbamate
CID 14267498
2-[2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl methanesulfonate
CID 139896423
tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate
CID 11739198
4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61034623
N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 54863561
ethyl 4-(2-methyl-3-sulfamoylanilino)-4-oxobutanoate
CID 61362191
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate (CID 65142606) is tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate is Cc1c(NC(=O)OC(C)(C)C)cccc1S(N)(=O)=O.
What is the InChIKey of tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate?
The InChIKey is INXHXLPOWWYRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8-9(14-11(15)18-12(2,3)4)6-5-7-10(8)19(13,16)17/h5-7H,1-4H3,(H,14,15)(H2,13,16,17).
What are the key properties of tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate?
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate has a molecular weight of 286.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate is sourced from PubChem (CID 65142606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).