3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide

C18H22N2O3S — CID 31580711

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H22N2O3S/c1-18(2,3)14-8-10-16(11-9-14)24(22,23)20-15-7-5-6-13(12-15)17(21)19-4/h5-12,20H,1-4H3,(H,19,21)
InChIKeyQXALHHGUUFDDFD-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.14
Rot. Bonds4

About 3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide

3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide (PubChem CID 31580711) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide
PubChem CID31580711
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H22N2O3S/c1-18(2,3)14-8-10-16(11-9-14)24(22,23)20-15-7-5-6-13(12-15)17(21)19-4/h5-12,20H,1-4H3,(H,19,21)
InChIKeyQXALHHGUUFDDFD-UHFFFAOYSA-N
XLogP3.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-tert-butylphenyl)sulfonylamino]benzoate
CID 7720201
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 47092083
N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide
CID 92682052
3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
CID 31580763
3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580790
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
CID 92676676
N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide
CID 134040442
4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
CID 46764727
4-tert-butyl-N-(3-formylphenyl)benzenesulfonamide
CID 1249997

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide (CID 31580711) is 3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide is CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is QXALHHGUUFDDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-18(2,3)14-8-10-16(11-9-14)24(22,23)20-15-7-5-6-13(12-15)17(21)19-4/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide?
3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 31580711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).