N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide

C15H23ClN2O3S — CID 2404438

IUPACN-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H23ClN2O3S/c1-6-18(7-2)22(20,21)11-8-9-13(16)12(10-11)14(19)17-15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,19)
InChIKeyQSDYHEVFDPPMCV-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.90
Rot. Bonds5

About N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide

N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide (PubChem CID 2404438) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
PubChem CID2404438
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H23ClN2O3S/c1-6-18(7-2)22(20,21)11-8-9-13(16)12(10-11)14(19)17-15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,19)
InChIKeyQSDYHEVFDPPMCV-UHFFFAOYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 51285596
N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
CID 60566384
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614
2-chloro-5-(diethylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51187743
2-chloro-5-(diethylsulfamoyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 9119785

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide?
The IUPAC name of N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide (CID 2404438) is N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide?
The InChIKey is QSDYHEVFDPPMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-6-18(7-2)22(20,21)11-8-9-13(16)12(10-11)14(19)17-15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,19).
What are the key properties of N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide?
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide has a molecular weight of 346.88 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 2404438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).