4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide

C9H13NO3S — CID 130524122

IUPAC4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CO)c(C)c1
InChIInChI=1S/C9H13NO3S/c1-7-5-9(14(12,13)10-2)4-3-8(7)6-11/h3-5,10-11H,6H2,1-2H3
InChIKeyYDOFSQXCKFDDFV-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.40
Rot. Bonds3

About 4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide

4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide (PubChem CID 130524122) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide
PubChem CID130524122
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CO)c(C)c1
InChIInChI=1S/C9H13NO3S/c1-7-5-9(14(12,13)10-2)4-3-8(7)6-11/h3-5,10-11H,6H2,1-2H3
InChIKeyYDOFSQXCKFDDFV-UHFFFAOYSA-N
XLogP0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 112737375
2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride
CID 152625381
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
3-chloro-4-ethyl-N-methylbenzenesulfonamide
CID 149042706
4-N,2-dimethylbenzene-1,4-disulfonamide
CID 162500455
N,3-dimethyl-4-propan-2-ylbenzenesulfonamide
CID 70996925
3-iodo-N,4-dimethylbenzenesulfonamide
CID 2817416
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 125498168
2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride
CID 43469166
4-fluoro-N,3,5-trimethylbenzenesulfonamide
CID 130161057
3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide
CID 107090660

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide (CID 130524122) is 4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CO)c(C)c1.
What is the InChIKey of 4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is YDOFSQXCKFDDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7-5-9(14(12,13)10-2)4-3-8(7)6-11/h3-5,10-11H,6H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide?
4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 130524122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).