3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide

C17H27ClN2O3S — CID 94830973

IUPAC3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CCCl)cc1
InChIInChI=1S/C17H27ClN2O3S/c1-3-5-13-20(14-6-4-2)24(22,23)16-9-7-15(8-10-16)19-17(21)11-12-18/h7-10H,3-6,11-14H2,1-2H3,(H,19,21)
InChIKeyIYPUJEJYXFZRDN-UHFFFAOYSA-N
MW374.93 g/mol
LogP3.84
Rot. Bonds11

About 3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide

3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide (PubChem CID 94830973) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is 3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide
PubChem CID94830973
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC Name3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CCCl)cc1
InChIInChI=1S/C17H27ClN2O3S/c1-3-5-13-20(14-6-4-2)24(22,23)16-9-7-15(8-10-16)19-17(21)11-12-18/h7-10H,3-6,11-14H2,1-2H3,(H,19,21)
InChIKeyIYPUJEJYXFZRDN-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
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3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 3715174
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3347715
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]hexanamide
CID 4954088
N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109445
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
N-(4-propan-2-ylsulfonylphenyl)pentanamide
CID 110778701
2-[(4-acetamidophenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683353
3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide
CID 4121831

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide (CID 94830973) is 3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide is CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CCCl)cc1.
What is the InChIKey of 3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide?
The InChIKey is IYPUJEJYXFZRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O3S/c1-3-5-13-20(14-6-4-2)24(22,23)16-9-7-15(8-10-16)19-17(21)11-12-18/h7-10H,3-6,11-14H2,1-2H3,(H,19,21).
What are the key properties of 3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide?
3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide has a molecular weight of 374.93 g/mol, XLogP of 3.84, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 94830973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).