4-(hydroxymethyl)-2-methylbenzenesulfonamide

C8H11NO3S — CID 18629047

IUPAC4-(hydroxymethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(CO)ccc1S(N)(=O)=O
InChIInChI=1S/C8H11NO3S/c1-6-4-7(5-10)2-3-8(6)13(9,11)12/h2-4,10H,5H2,1H3,(H2,9,11,12)
InChIKeyFENJAVLFYVUYPL-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.13
Rot. Bonds2

About 4-(hydroxymethyl)-2-methylbenzenesulfonamide

4-(hydroxymethyl)-2-methylbenzenesulfonamide (PubChem CID 18629047) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methylbenzenesulfonamide
PubChem CID18629047
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name4-(hydroxymethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(CO)ccc1S(N)(=O)=O
InChIInChI=1S/C8H11NO3S/c1-6-4-7(5-10)2-3-8(6)13(9,11)12/h2-4,10H,5H2,1H3,(H2,9,11,12)
InChIKeyFENJAVLFYVUYPL-UHFFFAOYSA-N
XLogP0.13
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate
CID 19812513
3-bromo-5-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 81488124
(3-ethylsulfonyl-4-methylphenyl)methanol
CID 112594371
(3-methyl-4-sulfamoylphenyl)boronic acid
CID 67451826
4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 175297408
2-(3-methyl-4-methylsulfonylphenyl)ethanol
CID 117305724
3-methyl-4-sulfamoylbenzenesulfonyl chloride
CID 63179688
4-ethyl-2-methylbenzenesulfonic acid
CID 87265774
4-(hydroxymethyl)-2-methylbenzamide
CID 69484226
2-methyl-4-(methylamino)benzenesulfonamide
CID 71282580
1-cyclobutyl-2-[(3-methyl-4-sulfamoylphenyl)methyl]guanidine
CID 122095671
3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 43246591

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(hydroxymethyl)-2-methylbenzenesulfonamide (CID 18629047) is 4-(hydroxymethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-2-methylbenzenesulfonamide is Cc1cc(CO)ccc1S(N)(=O)=O.
What is the InChIKey of 4-(hydroxymethyl)-2-methylbenzenesulfonamide?
The InChIKey is FENJAVLFYVUYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-6-4-7(5-10)2-3-8(6)13(9,11)12/h2-4,10H,5H2,1H3,(H2,9,11,12).
What are the key properties of 4-(hydroxymethyl)-2-methylbenzenesulfonamide?
4-(hydroxymethyl)-2-methylbenzenesulfonamide has a molecular weight of 201.25 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 18629047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).