4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

C15H23NO3S — CID 19682480

IUPAC4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H23NO3S/c1-2-3-5-13-7-9-15(10-8-13)20(17,18)16-12-14-6-4-11-19-14/h7-10,14,16H,2-6,11-12H2,1H3
InChIKeyAIFKBVYNCMLYMQ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.49
Rot. Bonds7

About 4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 19682480) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID19682480
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H23NO3S/c1-2-3-5-13-7-9-15(10-8-13)20(17,18)16-12-14-6-4-11-19-14/h7-10,14,16H,2-6,11-12H2,1H3
InChIKeyAIFKBVYNCMLYMQ-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloroethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43662744
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51339257
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide
CID 125435531
4-(2-methylbutan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 25041317
4-butoxy-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793365
1-hexyl-2-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111072778
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 19682480) is 4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is CCCCc1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is AIFKBVYNCMLYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-2-3-5-13-7-9-15(10-8-13)20(17,18)16-12-14-6-4-11-19-14/h7-10,14,16H,2-6,11-12H2,1H3.
What are the key properties of 4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 19682480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).