2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride

C8H10ClNO5S2 — CID 152625381

IUPAC2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)Cl)c(CO)c1
InChIInChI=1S/C8H10ClNO5S2/c1-10-17(14,15)7-2-3-8(16(9,12)13)6(4-7)5-11/h2-4,10-11H,5H2,1H3
InChIKeyZCKBGROKNAZEPK-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.01
Rot. Bonds4

About 2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride

2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride (PubChem CID 152625381) has the molecular formula C8H10ClNO5S2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride
PubChem CID152625381
Molecular FormulaC8H10ClNO5S2
Molecular Weight299.76 g/mol
Exact Mass298.97
IUPAC Name2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)Cl)c(CO)c1
InChIInChI=1S/C8H10ClNO5S2/c1-10-17(14,15)7-2-3-8(16(9,12)13)6(4-7)5-11/h2-4,10-11H,5H2,1H3
InChIKeyZCKBGROKNAZEPK-UHFFFAOYSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride (CID 152625381) is 2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride is CNS(=O)(=O)c1ccc(S(=O)(=O)Cl)c(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride?
The InChIKey is ZCKBGROKNAZEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO5S2/c1-10-17(14,15)7-2-3-8(16(9,12)13)6(4-7)5-11/h2-4,10-11H,5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride?
2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride has a molecular weight of 299.76 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 152625381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).