N-(4-amino-2-ethoxyphenyl)methanesulfonamide

C9H14N2O3S — CID 95910456

IUPACN-(4-amino-2-ethoxyphenyl)methanesulfonamide
SMILESCCOc1cc(N)ccc1NS(C)(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-3-14-9-6-7(10)4-5-8(9)11-15(2,12)13/h4-6,11H,3,10H2,1-2H3
InChIKeyDZRUIQYYKPVYOK-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.04
Rot. Bonds4

About N-(4-amino-2-ethoxyphenyl)methanesulfonamide

N-(4-amino-2-ethoxyphenyl)methanesulfonamide (PubChem CID 95910456) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(4-amino-2-ethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-ethoxyphenyl)methanesulfonamide
PubChem CID95910456
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-(4-amino-2-ethoxyphenyl)methanesulfonamide
SMILESCCOc1cc(N)ccc1NS(C)(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-3-14-9-6-7(10)4-5-8(9)11-15(2,12)13/h4-6,11H,3,10H2,1-2H3
InChIKeyDZRUIQYYKPVYOK-UHFFFAOYSA-N
XLogP1.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-ethoxyphenyl)propanamide
CID 95910426
N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride
CID 155858477
N-(4-methyl-2-propoxyphenyl)methanesulfonamide
CID 61063067
4-amino-2-ethoxyphenol
CID 12856010
4-bromo-3-ethoxyaniline
CID 7015503
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593
N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide
CID 58493949
1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816
ethyl 4-[5-amino-2-(benzenesulfonamido)phenoxy]butanoate
CID 59419102
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
N-(4-ethoxy-2-nitrophenyl)methanesulfonamide
CID 60640247

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-ethoxyphenyl)methanesulfonamide?
The IUPAC name of N-(4-amino-2-ethoxyphenyl)methanesulfonamide (CID 95910456) is N-(4-amino-2-ethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-2-ethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(4-amino-2-ethoxyphenyl)methanesulfonamide is CCOc1cc(N)ccc1NS(C)(=O)=O.
What is the InChIKey of N-(4-amino-2-ethoxyphenyl)methanesulfonamide?
The InChIKey is DZRUIQYYKPVYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-3-14-9-6-7(10)4-5-8(9)11-15(2,12)13/h4-6,11H,3,10H2,1-2H3.
What are the key properties of N-(4-amino-2-ethoxyphenyl)methanesulfonamide?
N-(4-amino-2-ethoxyphenyl)methanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-ethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 95910456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).