ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate

C9H10BrClN2O4S — CID 114463867

IUPACethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H10BrClN2O4S/c1-2-17-9(14)13-18(15,16)12-6-3-4-8(11)7(10)5-6/h3-5,12H,2H2,1H3,(H,13,14)
InChIKeyKEHVLQGRBWYFOQ-UHFFFAOYSA-N
MW357.61 g/mol
LogP2.51
Rot. Bonds4

About ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate

ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate (PubChem CID 114463867) has the molecular formula C9H10BrClN2O4S and a molecular weight of 357.61 g/mol. Its IUPAC name is ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate
PubChem CID114463867
Molecular FormulaC9H10BrClN2O4S
Molecular Weight357.61 g/mol
Exact Mass355.92
IUPAC Nameethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H10BrClN2O4S/c1-2-17-9(14)13-18(15,16)12-6-3-4-8(11)7(10)5-6/h3-5,12H,2H2,1H3,(H,13,14)
InChIKeyKEHVLQGRBWYFOQ-UHFFFAOYSA-N
XLogP2.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate
CID 107612728
ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate
CID 107640756
ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate
CID 114461807
ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate
CID 114463849
ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate
CID 114463883
ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate
CID 114463259
1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide
CID 106070903
ethyl N-[(6-bromo-2-pyridinyl)sulfamoyl]carbamate
CID 114463790
ethyl N-[[4-(4-hydroxybut-1-ynyl)phenyl]sulfamoyl]carbamate
CID 114465640
ethyl N-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfamoyl]carbamate
CID 114465642
ethyl N-[[3-(3-aminoprop-1-ynyl)-5-methylphenyl]sulfamoyl]carbamate
CID 107579336
ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate
CID 102990345

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate (CID 114463867) is ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)Nc1ccc(Cl)c(Br)c1.
What is the InChIKey of ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate?
The InChIKey is KEHVLQGRBWYFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O4S/c1-2-17-9(14)13-18(15,16)12-6-3-4-8(11)7(10)5-6/h3-5,12H,2H2,1H3,(H,13,14).
What are the key properties of ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate?
ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate has a molecular weight of 357.61 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate is sourced from PubChem (CID 114463867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).