4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide

C14H19ClN2O3S — CID 116815862

IUPAC4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-2-10-16-14(18)12-5-7-13(8-6-12)17-21(19,20)11-4-3-9-15/h2,5-8,17H,1,3-4,9-11H2,(H,16,18)
InChIKeyMIFSOBZFXFZWBH-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.36
Rot. Bonds9

About 4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide

4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide (PubChem CID 116815862) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide
PubChem CID116815862
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-2-10-16-14(18)12-5-7-13(8-6-12)17-21(19,20)11-4-3-9-15/h2,5-8,17H,1,3-4,9-11H2,(H,16,18)
InChIKeyMIFSOBZFXFZWBH-UHFFFAOYSA-N
XLogP2.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.36
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enyl-4-(sulfamoylamino)benzamide
CID 112573721
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide
CID 116814969
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759
4-formamido-N-prop-2-enylbenzamide
CID 64992358
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 62726927
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
CID 116815790
4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058531

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide (CID 116815862) is 4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1.
What is the InChIKey of 4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide?
The InChIKey is MIFSOBZFXFZWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-2-10-16-14(18)12-5-7-13(8-6-12)17-21(19,20)11-4-3-9-15/h2,5-8,17H,1,3-4,9-11H2,(H,16,18).
What are the key properties of 4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide?
4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide has a molecular weight of 330.84 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide is sourced from PubChem (CID 116815862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).