4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C12H17NO2S — CID 47190253

IUPAC4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CC2C)cc1
InChIInChI=1S/C12H17NO2S/c1-9-3-5-12(6-4-9)16(14,15)13-8-11-7-10(11)2/h3-6,10-11,13H,7-8H2,1-2H3
InChIKeyNKOZEIPKIDTTLC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.93
Rot. Bonds4

About 4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 47190253) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID47190253
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CC2C)cc1
InChIInChI=1S/C12H17NO2S/c1-9-3-5-12(6-4-9)16(14,15)13-8-11-7-10(11)2/h3-6,10-11,13H,7-8H2,1-2H3
InChIKeyNKOZEIPKIDTTLC-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid
CID 113463674
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide
CID 4680365
3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463608
N-[[(1R,2R)-2-(chloromethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 23248440
4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide
CID 7335395
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 115581733

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 47190253) is 4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CC2C)cc1.
What is the InChIKey of 4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is NKOZEIPKIDTTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-3-5-12(6-4-9)16(14,15)13-8-11-7-10(11)2/h3-6,10-11,13H,7-8H2,1-2H3.
What are the key properties of 4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 47190253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).