tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate

C15H17BrN2O4S — CID 44549792

IUPACtert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(S(N)(=O)=O)cccc2c1Br
InChIInChI=1S/C15H17BrN2O4S/c1-15(2,3)22-14(19)18-11-8-7-9-10(13(11)16)5-4-6-12(9)23(17,20)21/h4-8H,1-3H3,(H,18,19)(H2,17,20,21)
InChIKeyWVJZERPKSOLCEP-UHFFFAOYSA-N
MW401.28 g/mol
LogP3.60
Rot. Bonds2

About tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate

tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate (PubChem CID 44549792) has the molecular formula C15H17BrN2O4S and a molecular weight of 401.28 g/mol. Its IUPAC name is tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate
PubChem CID44549792
Molecular FormulaC15H17BrN2O4S
Molecular Weight401.28 g/mol
Exact Mass400.01
IUPAC Nametert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(S(N)(=O)=O)cccc2c1Br
InChIInChI=1S/C15H17BrN2O4S/c1-15(2,3)22-14(19)18-11-8-7-9-10(13(11)16)5-4-6-12(9)23(17,20)21/h4-8H,1-3H3,(H,18,19)(H2,17,20,21)
InChIKeyWVJZERPKSOLCEP-UHFFFAOYSA-N
XLogP3.60
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate
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N,N-diethylethanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalene-1-sulfonic acid
CID 11441667
tert-butyl N-(2-hydroxyphenyl)carbamate
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tert-butyl N-(2-amino-3-methylphenyl)carbamate
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tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
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tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(methylsulfamoyl)phenyl]phenyl]carbamate
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tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate
CID 66916666
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
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tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate (CID 44549792) is tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc2c(S(N)(=O)=O)cccc2c1Br.
What is the InChIKey of tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate?
The InChIKey is WVJZERPKSOLCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4S/c1-15(2,3)22-14(19)18-11-8-7-9-10(13(11)16)5-4-6-12(9)23(17,20)21/h4-8H,1-3H3,(H,18,19)(H2,17,20,21).
What are the key properties of tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate?
tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate has a molecular weight of 401.28 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate is sourced from PubChem (CID 44549792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).