4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide

C18H20N2O3S — CID 95933789

IUPAC4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-20(24(22,23)17-5-3-2-4-6-17)13-14-7-9-15(10-8-14)18(21)19-16-11-12-16/h2-10,16H,11-13H2,1H3,(H,19,21)
InChIKeyASRBHKGULYIUGD-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.40
Rot. Bonds6

About 4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide

4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide (PubChem CID 95933789) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
PubChem CID95933789
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-20(24(22,23)17-5-3-2-4-6-17)13-14-7-9-15(10-8-14)18(21)19-16-11-12-16/h2-10,16H,11-13H2,1H3,(H,19,21)
InChIKeyASRBHKGULYIUGD-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide
CID 132660905
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278728
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278727
N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide
CID 35383768
4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
CID 109060739
N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide
CID 70774144
4-benzyl-N-cyclopropylbenzamide
CID 45086871
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
CID 86781611
ethyl 4-[[benzenesulfonyl(methyl)amino]methyl]benzoate
CID 100553127

Frequently Asked Questions

What is the IUPAC name of 4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide (CID 95933789) is 4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide is CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide?
The InChIKey is ASRBHKGULYIUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-20(24(22,23)17-5-3-2-4-6-17)13-14-7-9-15(10-8-14)18(21)19-16-11-12-16/h2-10,16H,11-13H2,1H3,(H,19,21).
What are the key properties of 4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide?
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide has a molecular weight of 344.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 95933789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).