N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide

C12H19NO4S — CID 4985580

IUPACN-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC(O)CO)cc1
InChIInChI=1S/C12H19NO4S/c1-3-10-4-6-12(7-5-10)18(16,17)13(2)8-11(15)9-14/h4-7,11,14-15H,3,8-9H2,1-2H3
InChIKeyOYQWGSROKJURMZ-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.22
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide

N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide (PubChem CID 4985580) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide
PubChem CID4985580
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC(O)CO)cc1
InChIInChI=1S/C12H19NO4S/c1-3-10-4-6-12(7-5-10)18(16,17)13(2)8-11(15)9-14/h4-7,11,14-15H,3,8-9H2,1-2H3
InChIKeyOYQWGSROKJURMZ-UHFFFAOYSA-N
XLogP0.22
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245
4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291150
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 19682262
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
4-(2-hydroxybutyl)-N,N-dimethylbenzenesulfonamide
CID 55163578
N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide
CID 71779617
4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295859
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 18191917
N-[(4-ethylphenyl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 38045291
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide (CID 4985580) is N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N(C)CC(O)CO)cc1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide?
The InChIKey is OYQWGSROKJURMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-3-10-4-6-12(7-5-10)18(16,17)13(2)8-11(15)9-14/h4-7,11,14-15H,3,8-9H2,1-2H3.
What are the key properties of N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide?
N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-4-ethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 4985580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).