ethyl N-(5-chloropentylsulfamoyl)carbamate

C8H17ClN2O4S — CID 107322727

IUPACethyl N-(5-chloropentylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCCCCCl
InChIInChI=1S/C8H17ClN2O4S/c1-2-15-8(12)11-16(13,14)10-7-5-3-4-6-9/h10H,2-7H2,1H3,(H,11,12)
InChIKeyUTFDZEDJUVGBPA-UHFFFAOYSA-N
MW272.75 g/mol
LogP0.98
Rot. Bonds8

About ethyl N-(5-chloropentylsulfamoyl)carbamate

ethyl N-(5-chloropentylsulfamoyl)carbamate (PubChem CID 107322727) has the molecular formula C8H17ClN2O4S and a molecular weight of 272.75 g/mol. Its IUPAC name is ethyl N-(5-chloropentylsulfamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-chloropentylsulfamoyl)carbamate
PubChem CID107322727
Molecular FormulaC8H17ClN2O4S
Molecular Weight272.75 g/mol
Exact Mass272.06
IUPAC Nameethyl N-(5-chloropentylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCCCCCl
InChIInChI=1S/C8H17ClN2O4S/c1-2-15-8(12)11-16(13,14)10-7-5-3-4-6-9/h10H,2-7H2,1H3,(H,11,12)
InChIKeyUTFDZEDJUVGBPA-UHFFFAOYSA-N
XLogP0.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
methyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322697
ethyl N-(6-bromohexylsulfamoyl)carbamate
CID 107848893
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl N-[(4-chloro-2,2-dimethylbutyl)sulfamoyl]carbamate
CID 106146110
ethyl N-(3-aminopentylsulfamoyl)carbamate
CID 114467103
ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
CID 114465230
ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate
CID 114464719
ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate
CID 114461663
ethyl N-[(4-amino-2-methylbutyl)sulfamoyl]carbamate
CID 114467054
methyl (2S)-2-(ethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]hexanoate
CID 59028983
6-chlorohexylsulfamic acid
CID 139889503

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-chloropentylsulfamoyl)carbamate?
The IUPAC name of ethyl N-(5-chloropentylsulfamoyl)carbamate (CID 107322727) is ethyl N-(5-chloropentylsulfamoyl)carbamate.
What is the SMILES notation for ethyl N-(5-chloropentylsulfamoyl)carbamate?
The canonical SMILES for ethyl N-(5-chloropentylsulfamoyl)carbamate is CCOC(=O)NS(=O)(=O)NCCCCCCl.
What is the InChIKey of ethyl N-(5-chloropentylsulfamoyl)carbamate?
The InChIKey is UTFDZEDJUVGBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O4S/c1-2-15-8(12)11-16(13,14)10-7-5-3-4-6-9/h10H,2-7H2,1H3,(H,11,12).
What are the key properties of ethyl N-(5-chloropentylsulfamoyl)carbamate?
ethyl N-(5-chloropentylsulfamoyl)carbamate has a molecular weight of 272.75 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-chloropentylsulfamoyl)carbamate is sourced from PubChem (CID 107322727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).