N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide

C19H23ClN2O3S — CID 109065382

IUPACN-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O3S/c1-3-4-5-11-21-26(24,25)17-8-6-7-15(12-17)19(23)22-16-10-9-14(2)18(20)13-16/h6-10,12-13,21H,3-5,11H2,1-2H3,(H,22,23)
InChIKeyGMFJFMGHLYFNJV-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.37
Rot. Bonds8

About N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide

N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide (PubChem CID 109065382) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
PubChem CID109065382
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O3S/c1-3-4-5-11-21-26(24,25)17-8-6-7-15(12-17)19(23)22-16-10-9-14(2)18(20)13-16/h6-10,12-13,21H,3-5,11H2,1-2H3,(H,22,23)
InChIKeyGMFJFMGHLYFNJV-UHFFFAOYSA-N
XLogP4.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide
CID 17226748
N-(4-chloro-2-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065381
N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27005856
3-(butylsulfamoyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 17226614
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55347676
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
CID 24672448
4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
CID 109058758
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36805136
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide (CID 109065382) is N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide is CCCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide?
The InChIKey is GMFJFMGHLYFNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-4-5-11-21-26(24,25)17-8-6-7-15(12-17)19(23)22-16-10-9-14(2)18(20)13-16/h6-10,12-13,21H,3-5,11H2,1-2H3,(H,22,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide?
N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide has a molecular weight of 394.92 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide is sourced from PubChem (CID 109065382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).