N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide

C15H24N2O3S — CID 62159021

IUPACN-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)N(CCOC)C(C)C1CC1
InChIInChI=1S/C15H24N2O3S/c1-12(13-8-9-13)17(10-11-20-3)21(18,19)15-7-5-4-6-14(15)16-2/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyODQMVWYZABQOLX-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.16
Rot. Bonds8

About N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide

N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide (PubChem CID 62159021) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide
PubChem CID62159021
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)N(CCOC)C(C)C1CC1
InChIInChI=1S/C15H24N2O3S/c1-12(13-8-9-13)17(10-11-20-3)21(18,19)15-7-5-4-6-14(15)16-2/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyODQMVWYZABQOLX-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide (CID 62159021) is N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)N(CCOC)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide?
The InChIKey is ODQMVWYZABQOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(13-8-9-13)17(10-11-20-3)21(18,19)15-7-5-4-6-14(15)16-2/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide?
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 62159021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).