N-(3-ethylpentan-3-yl)sulfamoyl chloride

C7H16ClNO2S — CID 114958366

IUPACN-(3-ethylpentan-3-yl)sulfamoyl chloride
SMILESCCC(CC)(CC)NS(=O)(=O)Cl
InChIInChI=1S/C7H16ClNO2S/c1-4-7(5-2,6-3)9-12(8,10)11/h9H,4-6H2,1-3H3
InChIKeyIBPRZCXNDPAZNP-UHFFFAOYSA-N
MW213.73 g/mol
LogP2.03
Rot. Bonds5

About N-(3-ethylpentan-3-yl)sulfamoyl chloride

N-(3-ethylpentan-3-yl)sulfamoyl chloride (PubChem CID 114958366) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)sulfamoyl chloride
PubChem CID114958366
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC NameN-(3-ethylpentan-3-yl)sulfamoyl chloride
SMILESCCC(CC)(CC)NS(=O)(=O)Cl
InChIInChI=1S/C7H16ClNO2S/c1-4-7(5-2,6-3)9-12(8,10)11/h9H,4-6H2,1-3H3
InChIKeyIBPRZCXNDPAZNP-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-ethylpentan-3-yl)sulfamoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butylsulfamoyl chloride
CID 12682606
N-(2-methylbutan-2-yl)sulfamoyl chloride
CID 20641442
3-Methyl-3-(sulfinatoamino)pentane
CID 57106521
3-Ethyl-3-(sulfamoylamino)pentane
CID 88168087
3-Methylpentan-3-ylsulfamic acid
CID 89378864
N-(3-methylpentan-3-yl)sulfamoyl chloride
CID 106328388
N-(2-methylpentan-2-yl)sulfamoyl chloride
CID 114958462

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)sulfamoyl chloride?
The IUPAC name of N-(3-ethylpentan-3-yl)sulfamoyl chloride (CID 114958366) is N-(3-ethylpentan-3-yl)sulfamoyl chloride.
What is the SMILES notation for N-(3-ethylpentan-3-yl)sulfamoyl chloride?
The canonical SMILES for N-(3-ethylpentan-3-yl)sulfamoyl chloride is CCC(CC)(CC)NS(=O)(=O)Cl.
What is the InChIKey of N-(3-ethylpentan-3-yl)sulfamoyl chloride?
The InChIKey is IBPRZCXNDPAZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO2S/c1-4-7(5-2,6-3)9-12(8,10)11/h9H,4-6H2,1-3H3.
What are the key properties of N-(3-ethylpentan-3-yl)sulfamoyl chloride?
N-(3-ethylpentan-3-yl)sulfamoyl chloride has a molecular weight of 213.73 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)sulfamoyl chloride is sourced from PubChem (CID 114958366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).