N-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide

C13H21NO2S — CID 91734521

IUPACN-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO2S/c1-5-14(10-11(2)3)17(15,16)13-8-6-12(4)7-9-13/h6-9,11H,5,10H2,1-4H3
InChIKeyYRYKEXZBFSZSMB-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.66
Rot. Bonds5

About N-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide

N-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 91734521) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID91734521
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO2S/c1-5-14(10-11(2)3)17(15,16)13-8-6-12(4)7-9-13/h6-9,11H,5,10H2,1-4H3
InChIKeyYRYKEXZBFSZSMB-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

P-Toluenesulfonamide
CID 6269
Diazald
CID 6628
N-Methyl-p-toluenesulfonamide
CID 12543
N-Ethyl-p-toluenesulfonamide
CID 6637
Benzenesulfonamide, N,N,4-trimethyl-
CID 11743
Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
N-Butyl-p-toluenesulfonamide
CID 61285
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
4-Butylbenzenesulfonamide
CID 2054776
1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
4-Ethylbenzenesulfonamide
CID 222870
4-Propylbenzenesulfonamide
CID 2265561

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 91734521) is N-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide is CCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is YRYKEXZBFSZSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-14(10-11(2)3)17(15,16)13-8-6-12(4)7-9-13/h6-9,11H,5,10H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
N-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 91734521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).