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

C12H14N2O3S — CID 115902839

IUPAC5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NC1(CO)CC1
InChIInChI=1S/C12H14N2O3S/c1-9-2-3-10(7-13)6-11(9)18(16,17)14-12(8-15)4-5-12/h2-3,6,14-15H,4-5,8H2,1H3
InChIKeyKENFMGMCFRAMBL-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.67
Rot. Bonds4

About 5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide

5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide (PubChem CID 115902839) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
PubChem CID115902839
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NC1(CO)CC1
InChIInChI=1S/C12H14N2O3S/c1-9-2-3-10(7-13)6-11(9)18(16,17)14-12(8-15)4-5-12/h2-3,6,14-15H,4-5,8H2,1H3
InChIKeyKENFMGMCFRAMBL-UHFFFAOYSA-N
XLogP0.67
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyano-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

4-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 103916503
N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide
CID 115902945
4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902827
5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 115756395
N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902909
5-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzenesulfonamide
CID 107848116
N-[1-(hydroxymethyl)cyclopropyl]-2,4-dimethylbenzenesulfonamide
CID 113351337
3-(2-hydroxyethylsulfonyl)-4-methylbenzonitrile
CID 138630803
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62526556
5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 103743788
5-cyano-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616340
5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 103990150

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide (CID 115902839) is 5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide is Cc1ccc(C#N)cc1S(=O)(=O)NC1(CO)CC1.
What is the InChIKey of 5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide?
The InChIKey is KENFMGMCFRAMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9-2-3-10(7-13)6-11(9)18(16,17)14-12(8-15)4-5-12/h2-3,6,14-15H,4-5,8H2,1H3.
What are the key properties of 5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide?
5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 115902839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).