4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide

C14H21ClN2O3S — CID 116815851

IUPAC4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NS(=O)(=O)CCCCCl)c(C)c1
InChIInChI=1S/C14H21ClN2O3S/c1-3-16-14(18)12-6-7-13(11(2)10-12)17-21(19,20)9-5-4-8-15/h6-7,10,17H,3-5,8-9H2,1-2H3,(H,16,18)
InChIKeyUXLVOJTWLKUJRG-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.51
Rot. Bonds8

About 4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide

4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide (PubChem CID 116815851) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide
PubChem CID116815851
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NS(=O)(=O)CCCCCl)c(C)c1
InChIInChI=1S/C14H21ClN2O3S/c1-3-16-14(18)12-6-7-13(11(2)10-12)17-21(19,20)9-5-4-8-15/h6-7,10,17H,3-5,8-9H2,1-2H3,(H,16,18)
InChIKeyUXLVOJTWLKUJRG-UHFFFAOYSA-N
XLogP2.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.51
H-Bond Donors ≤ 52
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

4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide
CID 79557547
4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid
CID 43699845
3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide
CID 43654466
3-(4-chlorobutylsulfonylamino)-N-propylbenzamide
CID 116815540
4-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-ethyl-3-methylbenzamide
CID 63681118
methyl 3-(3-chloropropylsulfonylamino)-4-methylbenzoate
CID 43654298
4-(chloromethylsulfonylamino)-3-methylbenzamide
CID 63666829
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide
CID 107652044
N-ethyl-3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzamide
CID 62848154
methyl 4-[(4-carbamoyl-2-methylphenyl)sulfamoyl]butanoate
CID 61460295
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide?
The IUPAC name of 4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide (CID 116815851) is 4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide?
The canonical SMILES for 4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide is CCNC(=O)c1ccc(NS(=O)(=O)CCCCCl)c(C)c1.
What is the InChIKey of 4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide?
The InChIKey is UXLVOJTWLKUJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-3-16-14(18)12-6-7-13(11(2)10-12)17-21(19,20)9-5-4-8-15/h6-7,10,17H,3-5,8-9H2,1-2H3,(H,16,18).
What are the key properties of 4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide?
4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide has a molecular weight of 332.85 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 116815851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).