N-tert-butyl-4-chloro-3-(diethylsulfamoyl)benzamide

C15H23ClN2O3S — CID 4657390

IUPACN-tert-butyl-4-chloro-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1Cl
InChIInChI=1S/C15H23ClN2O3S/c1-6-18(7-2)22(20,21)13-10-11(8-9-12(13)16)14(19)17-15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,19)
InChIKeyAPAZLLKOUMODMY-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.90
Rot. Bonds5

About N-tert-butyl-4-chloro-3-(diethylsulfamoyl)benzamide

N-tert-butyl-4-chloro-3-(diethylsulfamoyl)benzamide (PubChem CID 4657390) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-tert-butyl-4-chloro-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-chloro-3-(diethylsulfamoyl)benzamide
PubChem CID4657390
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-tert-butyl-4-chloro-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1Cl
InChIInChI=1S/C15H23ClN2O3S/c1-6-18(7-2)22(20,21)13-10-11(8-9-12(13)16)14(19)17-15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,19)
InChIKeyAPAZLLKOUMODMY-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

Clopamide
CID 12492
Brinaldix
CID 2804
Diapamide
CID 19394
N-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 34852311
2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide
CID 60635034
N-benzyl-2,4-dichloro-5-sulfamoylbenzamide
CID 126507182
N-butyl-4-chloro-2-phenylsulfanyl-5-sulfamoylbenzamide
CID 126508306
2-(benzenesulfonyl)-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126509299
4-Chloro-3-sulfamoyl-benzenecarboxamide
CID 213020
N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 2127096
1-[4-(4-Chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone
CID 2474213
4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2531912

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloro-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-tert-butyl-4-chloro-3-(diethylsulfamoyl)benzamide (CID 4657390) is N-tert-butyl-4-chloro-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-tert-butyl-4-chloro-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-tert-butyl-4-chloro-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1Cl.
What is the InChIKey of N-tert-butyl-4-chloro-3-(diethylsulfamoyl)benzamide?
The InChIKey is APAZLLKOUMODMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-6-18(7-2)22(20,21)13-10-11(8-9-12(13)16)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-4-chloro-3-(diethylsulfamoyl)benzamide?
N-tert-butyl-4-chloro-3-(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-4-chloro-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 4657390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).