2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride

C7H8ClNO5S2 — CID 164927394

IUPAC2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Cl)c(CO)c1
InChIInChI=1S/C7H8ClNO5S2/c8-15(11,12)7-2-1-6(16(9,13)14)3-5(7)4-10/h1-3,10H,4H2,(H2,9,13,14)
InChIKeyFNBUFCFIZWGHTK-UHFFFAOYSA-N
MW285.73 g/mol
LogP-0.25
Rot. Bonds3

About 2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride

2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride (PubChem CID 164927394) has the molecular formula C7H8ClNO5S2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride
PubChem CID164927394
Molecular FormulaC7H8ClNO5S2
Molecular Weight285.73 g/mol
Exact Mass284.95
IUPAC Name2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Cl)c(CO)c1
InChIInChI=1S/C7H8ClNO5S2/c8-15(11,12)7-2-1-6(16(9,13)14)3-5(7)4-10/h1-3,10H,4H2,(H2,9,13,14)
InChIKeyFNBUFCFIZWGHTK-UHFFFAOYSA-N
XLogP-0.25
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride
CID 152625381
3-amino-4-(hydroxymethyl)benzenesulfonamide
CID 67323774
4-sulfamoyl-2-(trifluoromethyl)benzenesulfonyl chloride
CID 154168483
2-(hydroxymethyl)-4-methoxybenzenesulfonamide
CID 67168933
2-amino-4-sulfamoylbenzenesulfonic acid
CID 152765505
3-(hydroxymethyl)benzenesulfonamide
CID 23133799
2-ethyl-4-sulfamoylbenzoic acid
CID 68595259
5-amino-3H-2-benzofuran-1-one;3-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)benzenesulfonamide;1-oxo-3H-2-benzofuran-5-sulfonamide;1-oxo-3H-2-benzofuran-5-sulfonyl chloride
CID 159453350
2-fluoro-4-sulfamoylbenzenesulfonic acid
CID 174894500
3-methyl-4-sulfamoylbenzenesulfonyl chloride
CID 63179688
3-(aminomethyl)-4-phenylbenzenesulfonamide
CID 143636472
(5-amino-2-methylsulfonylphenyl)methanol
CID 22316624

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride?
The IUPAC name of 2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride (CID 164927394) is 2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride.
What is the SMILES notation for 2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride?
The canonical SMILES for 2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride is NS(=O)(=O)c1ccc(S(=O)(=O)Cl)c(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride?
The InChIKey is FNBUFCFIZWGHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO5S2/c8-15(11,12)7-2-1-6(16(9,13)14)3-5(7)4-10/h1-3,10H,4H2,(H2,9,13,14).
What are the key properties of 2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride?
2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride has a molecular weight of 285.73 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride is sourced from PubChem (CID 164927394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).