N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide

C10H15NO5S2 — CID 64794415

IUPACN-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCS(C)(=O)=O)cc1O
InChIInChI=1S/C10H15NO5S2/c1-8-3-4-9(7-10(8)12)11-18(15,16)6-5-17(2,13)14/h3-4,7,11-12H,5-6H2,1-2H3
InChIKeyDNSQHQLOWFFJNX-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.49
Rot. Bonds5

About N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide

N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide (PubChem CID 64794415) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide
PubChem CID64794415
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC NameN-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCS(C)(=O)=O)cc1O
InChIInChI=1S/C10H15NO5S2/c1-8-3-4-9(7-10(8)12)11-18(15,16)6-5-17(2,13)14/h3-4,7,11-12H,5-6H2,1-2H3
InChIKeyDNSQHQLOWFFJNX-UHFFFAOYSA-N
XLogP0.49
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580
N-(3-amino-4-bromophenyl)-2-methylsulfonylethanesulfonamide
CID 79768205
4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699512
3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide
CID 63243241
N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94688171
N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide
CID 22406160
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
3-amino-4-hydroxy-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699434
5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699520
2-methyl-5-(propylsulfonylamino)benzoic acid
CID 63653698
4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327721

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide (CID 64794415) is N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide is Cc1ccc(NS(=O)(=O)CCS(C)(=O)=O)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide?
The InChIKey is DNSQHQLOWFFJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-8-3-4-9(7-10(8)12)11-18(15,16)6-5-17(2,13)14/h3-4,7,11-12H,5-6H2,1-2H3.
What are the key properties of N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide?
N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide has a molecular weight of 293.37 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 64794415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).