4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide

C13H21NO2S — CID 59667875

IUPAC4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-13(2,3)10-11-6-8-12(9-7-11)17(15,16)14(4)5/h6-9H,10H2,1-5H3
InChIKeyJOIGTTLLOBEFPR-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.53
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide

4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 59667875) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
PubChem CID59667875
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-13(2,3)10-11-6-8-12(9-7-11)17(15,16)14(4)5/h6-9H,10H2,1-5H3
InChIKeyJOIGTTLLOBEFPR-UHFFFAOYSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59836579
N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
[4-(dimethylsulfamoyl)phenyl]methanesulfonic acid
CID 175413171
[4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane
CID 166984179
4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide
CID 63205177
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
4-(bromomethyl)benzenesulfonyl chloride;4-(bromomethyl)-N,N-dimethylbenzenesulfonamide
CID 161423385
tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate
CID 69244104
CID 90391328
CID 90391328
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
4-(2-hydroxybutyl)-N,N-dimethylbenzenesulfonamide
CID 55163578
4-[(3-cyano-3-methylbutyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide
CID 91662634

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide (CID 59667875) is 4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(CC(C)(C)C)cc1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is JOIGTTLLOBEFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-13(2,3)10-11-6-8-12(9-7-11)17(15,16)14(4)5/h6-9H,10H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide?
4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 59667875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).