N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide

C12H19NO2S — CID 14574391

IUPACN,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-10(2)9-11-5-7-12(8-6-11)16(14,15)13(3)4/h5-8,10H,9H2,1-4H3
InChIKeyHSBPAZOXINPFNL-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.14
Rot. Bonds4

About N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide

N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 14574391) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
PubChem CID14574391
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-10(2)9-11-5-7-12(8-6-11)16(14,15)13(3)4/h5-8,10H,9H2,1-4H3
InChIKeyHSBPAZOXINPFNL-UHFFFAOYSA-N
XLogP2.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide
CID 63205177
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide
CID 63202313
N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 97083157
4-(2-hydroxybutyl)-N,N-dimethylbenzenesulfonamide
CID 55163578
N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 112820136
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 43598434
N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 141472327
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
[4-(dimethylsulfamoyl)phenyl]methanesulfonic acid
CID 175413171
4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59667875
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide (CID 14574391) is N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is HSBPAZOXINPFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(2)9-11-5-7-12(8-6-11)16(14,15)13(3)4/h5-8,10H,9H2,1-4H3.
What are the key properties of N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide?
N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 14574391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).