5-(dimethylsulfamoyl)pentanoyl chloride

C7H14ClNO3S — CID 28704865

IUPAC5-(dimethylsulfamoyl)pentanoyl chloride
SMILESCN(C)S(=O)(=O)CCCCC(=O)Cl
InChIInChI=1S/C7H14ClNO3S/c1-9(2)13(11,12)6-4-3-5-7(8)10/h3-6H2,1-2H3
InChIKeyIUCDNTSFKQRRBP-UHFFFAOYSA-N
MW227.71 g/mol
LogP0.81
Rot. Bonds6

About 5-(dimethylsulfamoyl)pentanoyl chloride

5-(dimethylsulfamoyl)pentanoyl chloride (PubChem CID 28704865) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)pentanoyl chloride.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)pentanoyl chloride
PubChem CID28704865
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC Name5-(dimethylsulfamoyl)pentanoyl chloride
SMILESCN(C)S(=O)(=O)CCCCC(=O)Cl
InChIInChI=1S/C7H14ClNO3S/c1-9(2)13(11,12)6-4-3-5-7(8)10/h3-6H2,1-2H3
InChIKeyIUCDNTSFKQRRBP-UHFFFAOYSA-N
XLogP0.81
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(dimethylsulfamoyl)pentanoyl 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,N-dimethylheptane-1-sulfonamide
CID 118391256
4-chloro-4-oxobutane-1-sulfonic acid
CID 57151767
3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride
CID 165460561
4-[ethyl(phenyl)sulfamoyl]butanoyl chloride
CID 28704851
nonadecanoyl chloride
CID 4250939
6-methyl-7-oxohept-6-enoyl chloride
CID 170945185
2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide
CID 116815382
5-(azepan-1-ylsulfonyl)pentanoyl chloride
CID 28704871
6-hydroxyhexanoyl chloride
CID 87077852
5-iodopentanoyl chloride
CID 15337131
hexane-1,6-diol;hexanedioyl dichloride
CID 86756475
sodium;bis(dodecanoyl chloride);hydride
CID 175516799

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)pentanoyl chloride?
The IUPAC name of 5-(dimethylsulfamoyl)pentanoyl chloride (CID 28704865) is 5-(dimethylsulfamoyl)pentanoyl chloride.
What is the SMILES notation for 5-(dimethylsulfamoyl)pentanoyl chloride?
The canonical SMILES for 5-(dimethylsulfamoyl)pentanoyl chloride is CN(C)S(=O)(=O)CCCCC(=O)Cl.
What is the InChIKey of 5-(dimethylsulfamoyl)pentanoyl chloride?
The InChIKey is IUCDNTSFKQRRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c1-9(2)13(11,12)6-4-3-5-7(8)10/h3-6H2,1-2H3.
What are the key properties of 5-(dimethylsulfamoyl)pentanoyl chloride?
5-(dimethylsulfamoyl)pentanoyl chloride has a molecular weight of 227.71 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)pentanoyl chloride is sourced from PubChem (CID 28704865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).