N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide

C8H10ClNO5S2 — CID 82842049

IUPACN-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C8H10ClNO5S2/c1-16(12,13)5-17(14,15)10-7-3-2-6(9)4-8(7)11/h2-4,10-11H,5H2,1H3
InChIKeyIFHYVRFAKMQXCB-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.79
Rot. Bonds4

About N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide

N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide (PubChem CID 82842049) has the molecular formula C8H10ClNO5S2 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide
PubChem CID82842049
Molecular FormulaC8H10ClNO5S2
Molecular Weight299.76 g/mol
Exact Mass298.97
IUPAC NameN-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C8H10ClNO5S2/c1-16(12,13)5-17(14,15)10-7-3-2-6(9)4-8(7)11/h2-4,10-11H,5H2,1H3
InChIKeyIFHYVRFAKMQXCB-UHFFFAOYSA-N
XLogP0.79
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide
CID 81433817
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1-methylsulfonylmethanesulfonamide
CID 82843377
3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide
CID 82843552
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648
4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 81433365
N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 81433105
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366
N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide
CID 81422193
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide (CID 82842049) is N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)Nc1ccc(Cl)cc1O.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is IFHYVRFAKMQXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO5S2/c1-16(12,13)5-17(14,15)10-7-3-2-6(9)4-8(7)11/h2-4,10-11H,5H2,1H3.
What are the key properties of N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide?
N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 299.76 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82842049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).