N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide

C14H21NO2S — CID 162407437

IUPACN-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESC=C(C)CN(CC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-12(2)10-15(11-13(3)4)18(16,17)14-8-6-5-7-9-14/h5-9,13H,1,10-11H2,2-4H3
InChIKeyBAOIFRGARWYCSB-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.91
Rot. Bonds6

About N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide

N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 162407437) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID162407437
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESC=C(C)CN(CC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-12(2)10-15(11-13(3)4)18(16,17)14-8-6-5-7-9-14/h5-9,13H,1,10-11H2,2-4H3
InChIKeyBAOIFRGARWYCSB-UHFFFAOYSA-N
XLogP2.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[benzenesulfonyl(2-methylpropyl)amino]propylcarbamic acid
CID 142959686
N-[(2S,3S)-2-hydroxy-3-methyl-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide
CID 59054870
N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide
CID 118271385
N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide
CID 10317422
N-[2-(benzenesulfonyl)buta-2,3-dienyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 102175793
4-[4-[[benzenesulfonyl(2-methylpropyl)amino]methyl]phenyl]benzoic acid
CID 157022700
1-(benzenesulfonyl)-1-(2-methylpropyl)urea
CID 154208378
2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid
CID 119192737
4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 43119905
N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide
CID 59164206
2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767125
2-[(3-cyanophenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62034793

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide (CID 162407437) is N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide is C=C(C)CN(CC(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is BAOIFRGARWYCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12(2)10-15(11-13(3)4)18(16,17)14-8-6-5-7-9-14/h5-9,13H,1,10-11H2,2-4H3.
What are the key properties of N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide?
N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 267.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 162407437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).