3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide

C21H28N2O3S — CID 2322744

IUPAC3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C21H28N2O3S/c1-20(2,3)15-11-14(12-16(13-15)21(4,5)6)19(24)23-17-7-9-18(10-8-17)27(22,25)26/h7-13H,1-6H3,(H,23,24)(H2,22,25,26)
InChIKeyCFYWUCYTEHMAOY-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.18
Rot. Bonds3

About 3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide

3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide (PubChem CID 2322744) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
PubChem CID2322744
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C21H28N2O3S/c1-20(2,3)15-11-14(12-16(13-15)21(4,5)6)19(24)23-17-7-9-18(10-8-17)27(22,25)26/h7-13H,1-6H3,(H,23,24)(H2,22,25,26)
InChIKeyCFYWUCYTEHMAOY-UHFFFAOYSA-N
XLogP4.18
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
4-methyl-3,5-dinitro-N-(4-sulfamoylphenyl)benzamide
CID 19174927
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 110678136
1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide
CID 16961374
N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
CID 9413612
methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate
CID 59762981
N-[4-(3-aminopropylcarbamoyl)phenyl]-3,5-ditert-butylbenzamide
CID 134135004
N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide
CID 103891366
N-(3,5-difluorophenyl)-4-sulfamoylbenzamide
CID 27055023
4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951380
3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide
CID 9035038

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide (CID 2322744) is 3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide is CC(C)(C)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is CFYWUCYTEHMAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-20(2,3)15-11-14(12-16(13-15)21(4,5)6)19(24)23-17-7-9-18(10-8-17)27(22,25)26/h7-13H,1-6H3,(H,23,24)(H2,22,25,26).
What are the key properties of 3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide?
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 2322744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).