4-methyl-2-pentyl-3-propylbenzenesulfonamide

C15H25NO2S — CID 69468527

IUPAC4-methyl-2-pentyl-3-propylbenzenesulfonamide
SMILESCCCCCc1c(S(N)(=O)=O)ccc(C)c1CCC
InChIInChI=1S/C15H25NO2S/c1-4-6-7-9-14-13(8-5-2)12(3)10-11-15(14)19(16,17)18/h10-11H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyNPBANUMRUNPKFG-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.33
Rot. Bonds7

About 4-methyl-2-pentyl-3-propylbenzenesulfonamide

4-methyl-2-pentyl-3-propylbenzenesulfonamide (PubChem CID 69468527) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-methyl-2-pentyl-3-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-2-pentyl-3-propylbenzenesulfonamide
PubChem CID69468527
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-methyl-2-pentyl-3-propylbenzenesulfonamide
SMILESCCCCCc1c(S(N)(=O)=O)ccc(C)c1CCC
InChIInChI=1S/C15H25NO2S/c1-4-6-7-9-14-13(8-5-2)12(3)10-11-15(14)19(16,17)18/h10-11H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyNPBANUMRUNPKFG-UHFFFAOYSA-N
XLogP3.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(2-bromoethyl)-4-methylbenzenesulfonamide
CID 160915863
2-heptyl-4-methyl-3-propylphenol
CID 66865859
3-amino-2-dodecyl-4-methoxybenzenesulfonamide
CID 174507939
2-methyl-5-(pentylamino)benzenesulfonamide
CID 28653503
2-nonylbenzenesulfonamide
CID 70447042
sodium 2-dodecyl-3,4-dimethylbenzenesulfonate
CID 23707138
azane;3,4-dimethyl-2-nonylbenzenesulfonic acid
CID 173344660
calcium bis(3,4-dimethyl-2-octadecylbenzenesulfonate)
CID 170847469
4-iodo-2-pentylbenzenesulfonamide
CID 22908610
2,4-dimethyl-3-pentylaniline
CID 68571869
2,3-dihexyl-4-methylbenzamide
CID 154326325
3-methyl-2-tetracosylbenzenesulfonic acid
CID 139807839

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pentyl-3-propylbenzenesulfonamide?
The IUPAC name of 4-methyl-2-pentyl-3-propylbenzenesulfonamide (CID 69468527) is 4-methyl-2-pentyl-3-propylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-2-pentyl-3-propylbenzenesulfonamide?
The canonical SMILES for 4-methyl-2-pentyl-3-propylbenzenesulfonamide is CCCCCc1c(S(N)(=O)=O)ccc(C)c1CCC.
What is the InChIKey of 4-methyl-2-pentyl-3-propylbenzenesulfonamide?
The InChIKey is NPBANUMRUNPKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-6-7-9-14-13(8-5-2)12(3)10-11-15(14)19(16,17)18/h10-11H,4-9H2,1-3H3,(H2,16,17,18).
What are the key properties of 4-methyl-2-pentyl-3-propylbenzenesulfonamide?
4-methyl-2-pentyl-3-propylbenzenesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentyl-3-propylbenzenesulfonamide is sourced from PubChem (CID 69468527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).