N-ethyl-4-methyl-N-propylbenzenesulfonamide

C12H19NO2S — CID 91734520

IUPACN-ethyl-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H19NO2S/c1-4-10-13(5-2)16(14,15)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyHXHQLUVCZUZJND-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.42
Rot. Bonds5

About N-ethyl-4-methyl-N-propylbenzenesulfonamide

N-ethyl-4-methyl-N-propylbenzenesulfonamide (PubChem CID 91734520) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-propylbenzenesulfonamide
PubChem CID91734520
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-ethyl-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H19NO2S/c1-4-10-13(5-2)16(14,15)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyHXHQLUVCZUZJND-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 60823564
sodium 2-[(4-methylphenyl)sulfonyl-propylamino]ethyl sulfate
CID 59872860
N-ethyl-N-[2-[2-[2-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethoxy]ethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 100986628
2-methyl-3-[(4-methylphenyl)sulfonyl-propylamino]propanoic acid
CID 82326517
4-formyl-N,N-dipropylbenzenesulfonamide
CID 138962999
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-propylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-methyl-N-propylbenzenesulfonamide (CID 91734520) is N-ethyl-4-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-methyl-N-propylbenzenesulfonamide is CCCN(CC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-4-methyl-N-propylbenzenesulfonamide?
The InChIKey is HXHQLUVCZUZJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-10-13(5-2)16(14,15)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-N-propylbenzenesulfonamide?
N-ethyl-4-methyl-N-propylbenzenesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.42, 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-propylbenzenesulfonamide is sourced from PubChem (CID 91734520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).