N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide

C18H22N2O3S — CID 4963740

IUPACN-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H22N2O3S/c1-18(2,3)19-17(21)14-9-8-12-16(13-14)24(22,23)20(4)15-10-6-5-7-11-15/h5-13H,1-4H3,(H,19,21)
InChIKeyYWLTZFMHFSLZHY-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.04
Rot. Bonds4

About N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide

N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 4963740) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID4963740
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H22N2O3S/c1-18(2,3)19-17(21)14-9-8-12-16(13-14)24(22,23)20(4)15-10-6-5-7-11-15/h5-13H,1-4H3,(H,19,21)
InChIKeyYWLTZFMHFSLZHY-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
[2-(tert-butylamino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577529
methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate
CID 55670206
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
N-tert-butyl-3-(tribromomethylsulfonyl)benzamide
CID 164778887
N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 119521508
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 35186261
3-[methyl(phenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3284690
N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 120831499
3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144
3-[methyl(phenyl)sulfamoyl]-N-[2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 4230999

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide (CID 4963740) is N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is YWLTZFMHFSLZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-18(2,3)19-17(21)14-9-8-12-16(13-14)24(22,23)20(4)15-10-6-5-7-11-15/h5-13H,1-4H3,(H,19,21).
What are the key properties of N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide?
N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4963740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).