N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide

C18H32N2O3S — CID 14891483

IUPACN-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide
SMILESCCCCCCCN(CC)CC(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C18H32N2O3S/c1-4-6-7-8-9-14-20(5-2)15-18(21)16-10-12-17(13-11-16)19-24(3,22)23/h10-13,18-19,21H,4-9,14-15H2,1-3H3
InChIKeyLXKXPXMLUGCFTK-UHFFFAOYSA-N
MW356.53 g/mol
LogP3.38
Rot. Bonds12

About N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide

N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide (PubChem CID 14891483) has the molecular formula C18H32N2O3S and a molecular weight of 356.53 g/mol. Its IUPAC name is N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide
PubChem CID14891483
Molecular FormulaC18H32N2O3S
Molecular Weight356.53 g/mol
Exact Mass356.21
IUPAC NameN-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide
SMILESCCCCCCCN(CC)CC(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C18H32N2O3S/c1-4-6-7-8-9-14-20(5-2)15-18(21)16-10-12-17(13-11-16)19-24(3,22)23/h10-13,18-19,21H,4-9,14-15H2,1-3H3
InChIKeyLXKXPXMLUGCFTK-UHFFFAOYSA-N
XLogP3.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide (CID 14891483) is N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide is CCCCCCCN(CC)CC(O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide?
The InChIKey is LXKXPXMLUGCFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3S/c1-4-6-7-8-9-14-20(5-2)15-18(21)16-10-12-17(13-11-16)19-24(3,22)23/h10-13,18-19,21H,4-9,14-15H2,1-3H3.
What are the key properties of N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide?
N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide has a molecular weight of 356.53 g/mol, XLogP of 3.38, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14891483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).