4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide

C12H17NO3S — CID 65459454

IUPAC4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCC1CCC1
InChIInChI=1S/C12H17NO3S/c1-9-7-11(17(13,14)15)5-6-12(9)16-8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3,(H2,13,14,15)
InChIKeyIUJBJSAXUQBTNV-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.82
Rot. Bonds4

About 4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide

4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide (PubChem CID 65459454) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide
PubChem CID65459454
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCC1CCC1
InChIInChI=1S/C12H17NO3S/c1-9-7-11(17(13,14)15)5-6-12(9)16-8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3,(H2,13,14,15)
InChIKeyIUJBJSAXUQBTNV-UHFFFAOYSA-N
XLogP1.82
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide
CID 61344661
4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
CID 43164449
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
3-methyl-4-prop-2-enoxybenzenesulfonamide
CID 82921078
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 110165052
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 110164108
3-methyl-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 82921881
3-methyl-4-(4-methylpentoxy)benzenesulfonamide
CID 83158353
cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate
CID 65380431
4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
CID 43560584
3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide
CID 67227237

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide (CID 65459454) is 4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)ccc1OCC1CCC1.
What is the InChIKey of 4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide?
The InChIKey is IUJBJSAXUQBTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-7-11(17(13,14)15)5-6-12(9)16-8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3,(H2,13,14,15).
What are the key properties of 4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide?
4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide is sourced from PubChem (CID 65459454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).