2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide

C15H23ClN2O3S — CID 32612809

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
SMILESCC(C)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C15H23ClN2O3S/c1-11(2)6-5-9-17-15(19)13-10-12(7-8-14(13)16)22(20,21)18(3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,19)
InChIKeyPWLVYNICAICSBM-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.76
Rot. Bonds7

About 2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide

2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide (PubChem CID 32612809) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
PubChem CID32612809
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
SMILESCC(C)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C15H23ClN2O3S/c1-11(2)6-5-9-17-15(19)13-10-12(7-8-14(13)16)22(20,21)18(3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,19)
InChIKeyPWLVYNICAICSBM-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795
2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide
CID 110617791
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242
2-chloro-N-(3-hydroxypropyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78854298
2-chloro-N-[4-(4-chlorophenoxy)butyl]-5-(dimethylsulfamoyl)benzamide
CID 16567613
4-chloro-3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65368010
2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884146
methyl 6-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]hexanoate
CID 46798864
2,4-dichloro-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65396081
2-chloro-5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)ethyl]benzamide
CID 8916939
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide
CID 55894371
3-chloro-4-methyl-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 107100668

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide (CID 32612809) is 2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide is CC(C)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide?
The InChIKey is PWLVYNICAICSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-11(2)6-5-9-17-15(19)13-10-12(7-8-14(13)16)22(20,21)18(3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,19).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide has a molecular weight of 346.88 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide is sourced from PubChem (CID 32612809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).