methyl N-(5-chloropentylsulfamoyl)carbamate

C7H15ClN2O4S — CID 107322697

IUPACmethyl N-(5-chloropentylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCCCCCCl
InChIInChI=1S/C7H15ClN2O4S/c1-14-7(11)10-15(12,13)9-6-4-2-3-5-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyNELFEYKKTLZICZ-UHFFFAOYSA-N
MW258.73 g/mol
LogP0.59
Rot. Bonds7

About methyl N-(5-chloropentylsulfamoyl)carbamate

methyl N-(5-chloropentylsulfamoyl)carbamate (PubChem CID 107322697) has the molecular formula C7H15ClN2O4S and a molecular weight of 258.73 g/mol. Its IUPAC name is methyl N-(5-chloropentylsulfamoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-chloropentylsulfamoyl)carbamate
PubChem CID107322697
Molecular FormulaC7H15ClN2O4S
Molecular Weight258.73 g/mol
Exact Mass258.04
IUPAC Namemethyl N-(5-chloropentylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCCCCCCl
InChIInChI=1S/C7H15ClN2O4S/c1-14-7(11)10-15(12,13)9-6-4-2-3-5-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyNELFEYKKTLZICZ-UHFFFAOYSA-N
XLogP0.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 50.59
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-(5-chloropentylsulfamoyl)carbamate
CID 107322727
methyl N-(4-bromobutylsulfamoyl)carbamate
CID 106846716
5-(methoxycarbonylsulfamoylamino)-2-methylpentanoic acid
CID 114463049
6-chlorohexylsulfamic acid
CID 139889503
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
methyl N-(but-3-ynylsulfamoyl)carbamate
CID 114466093
methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719
methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate
CID 106306653
ethyl N-(6-bromohexylsulfamoyl)carbamate
CID 107848893
N-(5-chloropentyl)methanesulfonamide
CID 107322792
methyl N-(2-azidoethylsulfamoyl)carbamate
CID 114466121
methyl N-[2-(4-hydroxyphenyl)ethylsulfamoyl]carbamate
CID 114463964

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-chloropentylsulfamoyl)carbamate?
The IUPAC name of methyl N-(5-chloropentylsulfamoyl)carbamate (CID 107322697) is methyl N-(5-chloropentylsulfamoyl)carbamate.
What is the SMILES notation for methyl N-(5-chloropentylsulfamoyl)carbamate?
The canonical SMILES for methyl N-(5-chloropentylsulfamoyl)carbamate is COC(=O)NS(=O)(=O)NCCCCCCl.
What is the InChIKey of methyl N-(5-chloropentylsulfamoyl)carbamate?
The InChIKey is NELFEYKKTLZICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O4S/c1-14-7(11)10-15(12,13)9-6-4-2-3-5-8/h9H,2-6H2,1H3,(H,10,11).
What are the key properties of methyl N-(5-chloropentylsulfamoyl)carbamate?
methyl N-(5-chloropentylsulfamoyl)carbamate has a molecular weight of 258.73 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-chloropentylsulfamoyl)carbamate is sourced from PubChem (CID 107322697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).