2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride

C9H14ClN3O3S — CID 21128674

IUPAC2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C9H13N3O3S.ClH/c1-16(14,15)12-7-4-2-3-6(5-7)8(13)9(10)11;/h2-5,8,12-13H,1H3,(H3,10,11);1H
InChIKeyVRGMOWGYZCODJP-UHFFFAOYSA-N
MW279.75 g/mol
LogP0.45
Rot. Bonds4

About 2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride

2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride (PubChem CID 21128674) has the molecular formula C9H14ClN3O3S and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride
PubChem CID21128674
Molecular FormulaC9H14ClN3O3S
Molecular Weight279.75 g/mol
Exact Mass279.04
IUPAC Name2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C9H13N3O3S.ClH/c1-16(14,15)12-7-4-2-3-6(5-7)8(13)9(10)11;/h2-5,8,12-13H,1H3,(H3,10,11);1H
InChIKeyVRGMOWGYZCODJP-UHFFFAOYSA-N
XLogP0.45
TPSA116.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride 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-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
2-amino-2-[3-(methanesulfonamido)phenyl]acetamide
CID 13127822
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide
CID 54011314
N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide
CID 23592571
N-[3-(4-oxobutan-2-yl)phenyl]methanesulfonamide
CID 117355560
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride
CID 69351950
2-hydroxy-2-[4-(methanesulfonamido)phenyl]acetamide
CID 57197585
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
N-[3-(methanesulfonamido)phenyl]formamide
CID 54434866

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride?
The IUPAC name of 2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride (CID 21128674) is 2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride?
The canonical SMILES for 2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride?
The InChIKey is VRGMOWGYZCODJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S.ClH/c1-16(14,15)12-7-4-2-3-6(5-7)8(13)9(10)11;/h2-5,8,12-13H,1H3,(H3,10,11);1H.
What are the key properties of 2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride?
2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride has a molecular weight of 279.75 g/mol, XLogP of 0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride is sourced from PubChem (CID 21128674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).