4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

C15H24N2O3S — CID 82729543

IUPAC4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(C)C2CCOC2C)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-16-11-13-5-7-14(8-6-13)21(18,19)17(3)15-9-10-20-12(15)2/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyKYDZOIGTOUERGE-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.59
Rot. Bonds6

About 4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82729543) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82729543
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(C)C2CCOC2C)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-16-11-13-5-7-14(8-6-13)21(18,19)17(3)15-9-10-20-12(15)2/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyKYDZOIGTOUERGE-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82729543) is 4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)N(C)C2CCOC2C)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is KYDZOIGTOUERGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-16-11-13-5-7-14(8-6-13)21(18,19)17(3)15-9-10-20-12(15)2/h5-8,12,15-16H,4,9-11H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82729543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).