N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide

C16H24Cl2N2O3S — CID 78796282

IUPACN-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide
SMILESCCCCN(C)C(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2O3S/c1-5-6-7-20(4)16(21)12-8-15(14(18)9-13(12)17)24(22,23)19-10-11(2)3/h8-9,11,19H,5-7,10H2,1-4H3
InChIKeyAGEMHHKRVZWRSJ-UHFFFAOYSA-N
MW395.35 g/mol
LogP3.80
Rot. Bonds8

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

N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide (PubChem CID 78796282) has the molecular formula C16H24Cl2N2O3S and a molecular weight of 395.35 g/mol. Its IUPAC name is N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide
PubChem CID78796282
Molecular FormulaC16H24Cl2N2O3S
Molecular Weight395.35 g/mol
Exact Mass394.09
IUPAC NameN-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide
SMILESCCCCN(C)C(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2O3S/c1-5-6-7-20(4)16(21)12-8-15(14(18)9-13(12)17)24(22,23)19-10-11(2)3/h8-9,11,19H,5-7,10H2,1-4H3
InChIKeyAGEMHHKRVZWRSJ-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373674
N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824520
[2-(ethylamino)-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 2599609
2,4-dichloro-5-(hexylsulfamoyl)benzoic acid
CID 43237922
N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 32904267
2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide
CID 119972472
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969
2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 115405532
2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
CID 25252490
4-chloro-3-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65370538
5-[butyl(methyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65371988

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide (CID 78796282) is N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide is CCCCN(C)C(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl.
What is the InChIKey of N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is AGEMHHKRVZWRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O3S/c1-5-6-7-20(4)16(21)12-8-15(14(18)9-13(12)17)24(22,23)19-10-11(2)3/h8-9,11,19H,5-7,10H2,1-4H3.
What are the key properties of N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide?
N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 395.35 g/mol, XLogP of 3.80, 8 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-N-methyl-5-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 78796282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).