2-ethoxy-5-methyl-N-propylbenzenesulfonamide

C12H19NO3S — CID 54449996

IUPAC2-ethoxy-5-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(C)ccc1OCC
InChIInChI=1S/C12H19NO3S/c1-4-8-13-17(14,15)12-9-10(3)6-7-11(12)16-5-2/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyRFFFZNJKCKSRQW-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.08
Rot. Bonds6

About 2-ethoxy-5-methyl-N-propylbenzenesulfonamide

2-ethoxy-5-methyl-N-propylbenzenesulfonamide (PubChem CID 54449996) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-ethoxy-5-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-5-methyl-N-propylbenzenesulfonamide
PubChem CID54449996
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-ethoxy-5-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(C)ccc1OCC
InChIInChI=1S/C12H19NO3S/c1-4-8-13-17(14,15)12-9-10(3)6-7-11(12)16-5-2/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyRFFFZNJKCKSRQW-UHFFFAOYSA-N
XLogP2.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 50876758
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide
CID 121132885
N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide
CID 30365980
2-ethoxy-5-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890303
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730
2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 95187888
diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium
CID 8511849
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide
CID 46402299

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-5-methyl-N-propylbenzenesulfonamide (CID 54449996) is 2-ethoxy-5-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-5-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-5-methyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(C)ccc1OCC.
What is the InChIKey of 2-ethoxy-5-methyl-N-propylbenzenesulfonamide?
The InChIKey is RFFFZNJKCKSRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-8-13-17(14,15)12-9-10(3)6-7-11(12)16-5-2/h6-7,9,13H,4-5,8H2,1-3H3.
What are the key properties of 2-ethoxy-5-methyl-N-propylbenzenesulfonamide?
2-ethoxy-5-methyl-N-propylbenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 54449996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).