N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide

C12H20N2O3S — CID 102699032

IUPACN-ethyl-4-(2-methoxypropylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC(C)OC)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-14-18(15,16)12-7-5-11(6-8-12)13-9-10(2)17-3/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyOILCUMJGOWASHU-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.43
Rot. Bonds7

About N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide

N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide (PubChem CID 102699032) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxypropylamino)benzenesulfonamide
PubChem CID102699032
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-ethyl-4-(2-methoxypropylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC(C)OC)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-14-18(15,16)12-7-5-11(6-8-12)13-9-10(2)17-3/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyOILCUMJGOWASHU-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102914045
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
3-[4-(ethylsulfamoyl)anilino]-2-methylpropanoic acid
CID 62676272
4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide
CID 168637442
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106171016
4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907908
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
N-(2-methoxypropyl)-4-methylaniline
CID 102551518
4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283
4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide
CID 106244328

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide (CID 102699032) is N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCC(C)OC)cc1.
What is the InChIKey of N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide?
The InChIKey is OILCUMJGOWASHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-14-18(15,16)12-7-5-11(6-8-12)13-9-10(2)17-3/h5-8,10,13-14H,4,9H2,1-3H3.
What are the key properties of N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide?
N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide is sourced from PubChem (CID 102699032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).