4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide

C17H19NO2S — CID 42269303

IUPAC4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H19NO2S/c1-14-7-9-16(10-8-14)21(19,20)18-13-17(11-12-17)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3
InChIKeyACUAADIXTSCLBS-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.01
Rot. Bonds5

About 4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide

4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 42269303) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
PubChem CID42269303
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H19NO2S/c1-14-7-9-16(10-8-14)21(19,20)18-13-17(11-12-17)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3
InChIKeyACUAADIXTSCLBS-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269288
N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide
CID 139200596
3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 39628447
4-[(1-phenylcyclohexyl)methylsulfamoyl]benzamide
CID 46457755
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
CID 110444598
4-nitro-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450259
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 113313712
N-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 115456564
4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16581101
N-[(1-phenylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 42269285
4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269691
4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide
CID 172759953

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide (CID 42269303) is 4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is ACUAADIXTSCLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-14-7-9-16(10-8-14)21(19,20)18-13-17(11-12-17)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3.
What are the key properties of 4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42269303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).