N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide

C13H18Cl2N2O3S — CID 4917995

IUPACN-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-4-5-6-16-13(18)9-7-12(11(15)8-10(9)14)21(19,20)17(2)3/h7-8H,4-6H2,1-3H3,(H,16,18)
InChIKeyBTYXBORDNPBOIM-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.77
Rot. Bonds6

About N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide

N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide (PubChem CID 4917995) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
PubChem CID4917995
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC NameN-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-4-5-6-16-13(18)9-7-12(11(15)8-10(9)14)21(19,20)17(2)3/h7-8H,4-6H2,1-3H3,(H,16,18)
InChIKeyBTYXBORDNPBOIM-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.77
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-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
2,4-dichloro-N-pentyl-5-sulfamoylbenzamide
CID 60635006
N-[2-(1-adamantyl)ethyl]-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4919001
2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 1259983
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
CID 46665692
2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 977911
2,4-dichloro-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65396081
2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide
CID 1262101
2-bromo-4-chloro-5-(hexylcarbamoyl)benzenesulfonyl chloride
CID 65397654
2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631
2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide
CID 126508709
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide (CID 4917995) is N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide is CCCCNC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl.
What is the InChIKey of N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide?
The InChIKey is BTYXBORDNPBOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-4-5-6-16-13(18)9-7-12(11(15)8-10(9)14)21(19,20)17(2)3/h7-8H,4-6H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide?
N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide has a molecular weight of 353.27 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 4917995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).