N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide

C11H15NO3S — CID 115902909

IUPACN-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1(CO)CC1
InChIInChI=1S/C11H15NO3S/c1-9-4-2-3-5-10(9)16(14,15)12-11(8-13)6-7-11/h2-5,12-13H,6-8H2,1H3
InChIKeyHYGFPKVJQTZCOM-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.80
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide

N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide (PubChem CID 115902909) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
PubChem CID115902909
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1(CO)CC1
InChIInChI=1S/C11H15NO3S/c1-9-4-2-3-5-10(9)16(14,15)12-11(8-13)6-7-11/h2-5,12-13H,6-8H2,1H3
InChIKeyHYGFPKVJQTZCOM-UHFFFAOYSA-N
XLogP0.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-2,4-dimethylbenzenesulfonamide
CID 113351337
N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide
CID 115902945
5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902839
4-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 103916503
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394
2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723870
4-N-[1-(hydroxymethyl)cyclopropyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115902832
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62526556
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide
CID 115902821
N-[1-(hydroxymethyl)cyclopropyl]isoquinoline-5-sulfonamide
CID 115902811

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide (CID 115902909) is N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide?
The InChIKey is HYGFPKVJQTZCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-9-4-2-3-5-10(9)16(14,15)12-11(8-13)6-7-11/h2-5,12-13H,6-8H2,1H3.
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide?
N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 115902909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).