4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide

C24H40N2O4P2S2 — CID 145301695

IUPAC4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NP(CC)CC)cc1.CCP(CC)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H24NO2PS.C10H16NO2PS/c1-4-7-8-13-9-11-14(12-10-13)19(16,17)15-18(5-2)6-3;1-3-14(4-2)11-15(12,13)10-8-6-5-7-9-10/h9-12,15H,4-8H2,1-3H3;5-9,11H,3-4H2,1-2H3
InChIKeySVQLWFBVCQXUOE-UHFFFAOYSA-N
MW546.68 g/mol
LogP6.15
Rot. Bonds13

About 4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide

4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide (PubChem CID 145301695) has the molecular formula C24H40N2O4P2S2 and a molecular weight of 546.68 g/mol. Its IUPAC name is 4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide
PubChem CID145301695
Molecular FormulaC24H40N2O4P2S2
Molecular Weight546.68 g/mol
Exact Mass546.19
IUPAC Name4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NP(CC)CC)cc1.CCP(CC)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H24NO2PS.C10H16NO2PS/c1-4-7-8-13-9-11-14(12-10-13)19(16,17)15-18(5-2)6-3;1-3-14(4-2)11-15(12,13)10-8-6-5-7-9-10/h9-12,15H,4-8H2,1-3H3;5-9,11H,3-4H2,1-2H3
InChIKeySVQLWFBVCQXUOE-UHFFFAOYSA-N
XLogP6.15
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.68
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N-diphenylphosphanylbenzenesulfonamide
CID 58097783
4-butylbenzenesulfonohydrazide
CID 17255521
N-[butyl(phenyl)phosphanyl]benzenesulfonamide
CID 118474039
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
(triphenyl-λ4-sulfanyl) 4-butylbenzenesulfonate
CID 87459919
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-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369
4-butyl-N-prop-2-enylbenzenesulfonamide
CID 6470991
N-iodo-4-propylbenzenesulfonamide
CID 143564822

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide?
The IUPAC name of 4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide (CID 145301695) is 4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide.
What is the SMILES notation for 4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide?
The canonical SMILES for 4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide is CCCCc1ccc(S(=O)(=O)NP(CC)CC)cc1.CCP(CC)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide?
The InChIKey is SVQLWFBVCQXUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO2PS.C10H16NO2PS/c1-4-7-8-13-9-11-14(12-10-13)19(16,17)15-18(5-2)6-3;1-3-14(4-2)11-15(12,13)10-8-6-5-7-9-10/h9-12,15H,4-8H2,1-3H3;5-9,11H,3-4H2,1-2H3.
What are the key properties of 4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide?
4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide has a molecular weight of 546.68 g/mol, XLogP of 6.15, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide is sourced from PubChem (CID 145301695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).