2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide

C11H23ClN2O3S — CID 116815382

IUPAC2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)CCCCCl
InChIInChI=1S/C11H23ClN2O3S/c1-4-14(5-2)11(15)10-13(3)18(16,17)9-7-6-8-12/h4-10H2,1-3H3
InChIKeyYKSOHUPSVLOSDP-UHFFFAOYSA-N
MW298.84 g/mol
LogP1.14
Rot. Bonds9

About 2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide

2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide (PubChem CID 116815382) has the molecular formula C11H23ClN2O3S and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide
PubChem CID116815382
Molecular FormulaC11H23ClN2O3S
Molecular Weight298.84 g/mol
Exact Mass298.11
IUPAC Name2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)CCCCCl
InChIInChI=1S/C11H23ClN2O3S/c1-4-14(5-2)11(15)10-13(3)18(16,17)9-7-6-8-12/h4-10H2,1-3H3
InChIKeyYKSOHUPSVLOSDP-UHFFFAOYSA-N
XLogP1.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide
CID 54875454
2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide
CID 116815240
2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide
CID 52576050
2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide
CID 60910488
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-diethylacetamide
CID 61456794
2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide
CID 60693102
2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 116815328
N-ethyl-N-methylheptane-1-sulfonamide
CID 131966885
3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60890473
5-(dimethylsulfamoyl)pentanoyl chloride
CID 28704865
4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
CID 116816324
methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate
CID 107650512

Frequently Asked Questions

What is the IUPAC name of 2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide (CID 116815382) is 2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)S(=O)(=O)CCCCCl.
What is the InChIKey of 2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide?
The InChIKey is YKSOHUPSVLOSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O3S/c1-4-14(5-2)11(15)10-13(3)18(16,17)9-7-6-8-12/h4-10H2,1-3H3.
What are the key properties of 2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide?
2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide has a molecular weight of 298.84 g/mol, XLogP of 1.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 116815382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).