4-pentan-2-ylbenzenesulfonamide

C11H17NO2S — CID 134449965

IUPAC4-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17NO2S/c1-3-4-9(2)10-5-7-11(8-6-10)15(12,13)14/h5-9H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyQJUDZHXLQFNFGN-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.24
Rot. Bonds4

About 4-pentan-2-ylbenzenesulfonamide

4-pentan-2-ylbenzenesulfonamide (PubChem CID 134449965) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-pentan-2-ylbenzenesulfonamide
PubChem CID134449965
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17NO2S/c1-3-4-9(2)10-5-7-11(8-6-10)15(12,13)14/h5-9H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyQJUDZHXLQFNFGN-UHFFFAOYSA-N
XLogP2.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-hydroxypentyl)benzenesulfonamide
CID 139816747
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
4-pentan-2-ylbenzenesulfinate
CID 144614956
4-(2-hydroxypentyl)benzenesulfonamide
CID 63201232
4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
CID 55161438
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
4-tetradecan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonic acid
CID 169446924
4-[(2S)-undecan-2-yl]benzenesulfonic acid
CID 124577681
1-(4-bromobutan-2-yl)-4-propylsulfonylbenzene
CID 83927277
4-undecan-2-ylbenzenesulfonic acid
CID 6454295

Frequently Asked Questions

What is the IUPAC name of 4-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 4-pentan-2-ylbenzenesulfonamide (CID 134449965) is 4-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-pentan-2-ylbenzenesulfonamide is CCCC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-pentan-2-ylbenzenesulfonamide?
The InChIKey is QJUDZHXLQFNFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-4-9(2)10-5-7-11(8-6-10)15(12,13)14/h5-9H,3-4H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-pentan-2-ylbenzenesulfonamide?
4-pentan-2-ylbenzenesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 134449965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).