N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride

C9H13ClN2O4S — CID 159632042

IUPACN-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(C(=O)CN)ccc1O.Cl
InChIInChI=1S/C9H12N2O4S.ClH/c1-16(14,15)11-7-4-6(9(13)5-10)2-3-8(7)12;/h2-4,11-12H,5,10H2,1H3;1H
InChIKeyMPGCQYFCUBKJFD-UHFFFAOYSA-N
MW280.73 g/mol
LogP0.33
Rot. Bonds4

About N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride

N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride (PubChem CID 159632042) has the molecular formula C9H13ClN2O4S and a molecular weight of 280.73 g/mol. Its IUPAC name is N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride
PubChem CID159632042
Molecular FormulaC9H13ClN2O4S
Molecular Weight280.73 g/mol
Exact Mass280.03
IUPAC NameN-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(C(=O)CN)ccc1O.Cl
InChIInChI=1S/C9H12N2O4S.ClH/c1-16(14,15)11-7-4-6(9(13)5-10)2-3-8(7)12;/h2-4,11-12H,5,10H2,1H3;1H
InChIKeyMPGCQYFCUBKJFD-UHFFFAOYSA-N
XLogP0.33
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-hydroxy-3-(methanesulfonamido)benzoate
CID 18982707
N-(2-bromo-5-propanoylphenyl)methanesulfonamide
CID 174428060
[4-hydroxy-3-(methanesulfonamido)phenyl] acetate
CID 68581927
N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide
CID 7131311
N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide
CID 23592519
2-amino-1-(4-methylsulfonylphenyl)ethanone
CID 2763582
5-(2-aminoacetyl)-2-hydroxybenzonitrile
CID 84767083
2-amino-1-(3-chloro-4-methylsulfonylphenyl)ethanone
CID 84706314
N-[2-hydroxy-5-[1-hydroxy-2-[4-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]butylamino]ethyl]phenyl]methanesulfonamide;dihydrochloride
CID 21438072
2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
CID 131675810
3-(ethoxycarbonylsulfamoylamino)-4-hydroxybenzoic acid
CID 107264892
3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid
CID 506093

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride (CID 159632042) is N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1cc(C(=O)CN)ccc1O.Cl.
What is the InChIKey of N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride?
The InChIKey is MPGCQYFCUBKJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S.ClH/c1-16(14,15)11-7-4-6(9(13)5-10)2-3-8(7)12;/h2-4,11-12H,5,10H2,1H3;1H.
What are the key properties of N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride?
N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride has a molecular weight of 280.73 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 159632042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).