4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide

C17H19F2NO3S — CID 11515920

IUPAC4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCCO)ccc1-c1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO3S/c1-12-10-14(24(22,23)20-8-2-3-9-21)5-7-15(12)16-6-4-13(18)11-17(16)19/h4-7,10-11,20-21H,2-3,8-9H2,1H3
InChIKeyTYHUSNQWWKFBCU-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.99
Rot. Bonds7

About 4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide

4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide (PubChem CID 11515920) has the molecular formula C17H19F2NO3S and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide
PubChem CID11515920
Molecular FormulaC17H19F2NO3S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC Name4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCCO)ccc1-c1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO3S/c1-12-10-14(24(22,23)20-8-2-3-9-21)5-7-15(12)16-6-4-13(18)11-17(16)19/h4-7,10-11,20-21H,2-3,8-9H2,1H3
InChIKeyTYHUSNQWWKFBCU-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide (CID 11515920) is 4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCCCO)ccc1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide?
The InChIKey is TYHUSNQWWKFBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO3S/c1-12-10-14(24(22,23)20-8-2-3-9-21)5-7-15(12)16-6-4-13(18)11-17(16)19/h4-7,10-11,20-21H,2-3,8-9H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide?
4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide has a molecular weight of 355.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 11515920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).