N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide

C12H17NO3S — CID 115902945

IUPACN-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2(CO)CC2)c1
InChIInChI=1S/C12H17NO3S/c1-9-3-4-10(2)11(7-9)17(15,16)13-12(8-14)5-6-12/h3-4,7,13-14H,5-6,8H2,1-2H3
InChIKeyIQMKOHMUVLFVCS-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.11
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide

N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 115902945) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide
PubChem CID115902945
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2(CO)CC2)c1
InChIInChI=1S/C12H17NO3S/c1-9-3-4-10(2)11(7-9)17(15,16)13-12(8-14)5-6-12/h3-4,7,13-14H,5-6,8H2,1-2H3
InChIKeyIQMKOHMUVLFVCS-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-2,4-dimethylbenzenesulfonamide
CID 113351337
5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902839
N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902909
2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide
CID 62525307
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62526556
4-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 103916503
3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide
CID 79889496
[1-(2,5-dimethylphenyl)sulfonylcyclobutyl]methanol
CID 117037518
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide
CID 115902821
4-chloro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-nitrobenzenesulfonamide
CID 115902930
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide (CID 115902945) is N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC2(CO)CC2)c1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is IQMKOHMUVLFVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-3-4-10(2)11(7-9)17(15,16)13-12(8-14)5-6-12/h3-4,7,13-14H,5-6,8H2,1-2H3.
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide?
N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.11, 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]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 115902945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).