[5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide

C9H14N2O5S2 — CID 123527984

IUPAC[5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)c(O)cc1CS(N)(=O)=O
InChIInChI=1S/C9H14N2O5S2/c1-6-3-8(11-17(2,13)14)9(12)4-7(6)5-18(10,15)16/h3-4,11-12H,5H2,1-2H3,(H2,10,15,16)
InChIKeyBLOATXNHNVBZDS-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.14
Rot. Bonds4

About [5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide

[5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide (PubChem CID 123527984) has the molecular formula C9H14N2O5S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is [5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound Name[5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide
PubChem CID123527984
Molecular FormulaC9H14N2O5S2
Molecular Weight294.35 g/mol
Exact Mass294.03
IUPAC Name[5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)c(O)cc1CS(N)(=O)=O
InChIInChI=1S/C9H14N2O5S2/c1-6-3-8(11-17(2,13)14)9(12)4-7(6)5-18(10,15)16/h3-4,11-12H,5H2,1-2H3,(H2,10,15,16)
InChIKeyBLOATXNHNVBZDS-UHFFFAOYSA-N
XLogP-0.14
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.14
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

[2-(methanesulfonamido)phenyl]methanesulfonamide
CID 170547357
(2,5-dimethylphenyl)methanesulfonamide
CID 69226384
N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 849290
N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide
CID 22719137
(2,4-dimethylphenyl)methanesulfonamide
CID 59964487
N-(4-amino-2,5-dimethylphenyl)methanesulfonamide
CID 103144685
ethyl 4-hydroxy-3-(methanesulfonamido)benzoate
CID 18982707
N-(4-hydrazinyl-2-hydroxyphenyl)methanesulfonamide
CID 142914316
N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride
CID 159632042
CID 66974129
CID 66974129
3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
CID 60651633
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 106954609

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide?
The IUPAC name of [5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide (CID 123527984) is [5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for [5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide?
The canonical SMILES for [5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide is Cc1cc(NS(C)(=O)=O)c(O)cc1CS(N)(=O)=O.
What is the InChIKey of [5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide?
The InChIKey is BLOATXNHNVBZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S2/c1-6-3-8(11-17(2,13)14)9(12)4-7(6)5-18(10,15)16/h3-4,11-12H,5H2,1-2H3,(H2,10,15,16).
What are the key properties of [5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide?
[5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide has a molecular weight of 294.35 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 123527984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).