4-butyl-N-diphenylphosphanylbenzenesulfonamide

C22H24NO2PS — CID 58097783

IUPAC4-butyl-N-diphenylphosphanylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H24NO2PS/c1-2-3-10-19-15-17-22(18-16-19)27(24,25)23-26(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-18,23H,2-3,10H2,1H3
InChIKeyJVWLXWSJUXPFMJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.36
Rot. Bonds8

About 4-butyl-N-diphenylphosphanylbenzenesulfonamide

4-butyl-N-diphenylphosphanylbenzenesulfonamide (PubChem CID 58097783) has the molecular formula C22H24NO2PS and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-butyl-N-diphenylphosphanylbenzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-diphenylphosphanylbenzenesulfonamide
PubChem CID58097783
Molecular FormulaC22H24NO2PS
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name4-butyl-N-diphenylphosphanylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H24NO2PS/c1-2-3-10-19-15-17-22(18-16-19)27(24,25)23-26(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-18,23H,2-3,10H2,1H3
InChIKeyJVWLXWSJUXPFMJ-UHFFFAOYSA-N
XLogP4.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide
CID 145301695
4-butylbenzenesulfonohydrazide
CID 17255521
N-[butyl(phenyl)phosphanyl]benzenesulfonamide
CID 118474039
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 3691488
4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 22202239
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
butylbenzene;propylbenzene
CID 142022125
4-butyl-N-prop-2-enylbenzenesulfonamide
CID 6470991
(triphenyl-λ4-sulfanyl) 4-butylbenzenesulfonate
CID 87459919
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-(benzhydrylideneamino)-4-dodecylbenzenesulfonamide
CID 22613565

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-diphenylphosphanylbenzenesulfonamide?
The IUPAC name of 4-butyl-N-diphenylphosphanylbenzenesulfonamide (CID 58097783) is 4-butyl-N-diphenylphosphanylbenzenesulfonamide.
What is the SMILES notation for 4-butyl-N-diphenylphosphanylbenzenesulfonamide?
The canonical SMILES for 4-butyl-N-diphenylphosphanylbenzenesulfonamide is CCCCc1ccc(S(=O)(=O)NP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-butyl-N-diphenylphosphanylbenzenesulfonamide?
The InChIKey is JVWLXWSJUXPFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO2PS/c1-2-3-10-19-15-17-22(18-16-19)27(24,25)23-26(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-18,23H,2-3,10H2,1H3.
What are the key properties of 4-butyl-N-diphenylphosphanylbenzenesulfonamide?
4-butyl-N-diphenylphosphanylbenzenesulfonamide has a molecular weight of 397.48 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-diphenylphosphanylbenzenesulfonamide is sourced from PubChem (CID 58097783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).