N-[butyl(phenyl)phosphanyl]benzenesulfonamide

C16H20NO2PS — CID 118474039

IUPACN-[butyl(phenyl)phosphanyl]benzenesulfonamide
SMILESCCCCP(NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20NO2PS/c1-2-3-14-20(15-10-6-4-7-11-15)17-21(18,19)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKeyCSRJXKGXPMALSS-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.49
Rot. Bonds7

About N-[butyl(phenyl)phosphanyl]benzenesulfonamide

N-[butyl(phenyl)phosphanyl]benzenesulfonamide (PubChem CID 118474039) has the molecular formula C16H20NO2PS and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[butyl(phenyl)phosphanyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[butyl(phenyl)phosphanyl]benzenesulfonamide
PubChem CID118474039
Molecular FormulaC16H20NO2PS
Molecular Weight321.38 g/mol
Exact Mass321.10
IUPAC NameN-[butyl(phenyl)phosphanyl]benzenesulfonamide
SMILESCCCCP(NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20NO2PS/c1-2-3-14-20(15-10-6-4-7-11-15)17-21(18,19)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKeyCSRJXKGXPMALSS-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.49
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

N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide
CID 118475010
4-butyl-N-diphenylphosphanylbenzenesulfonamide
CID 58097783
4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide
CID 145301695
N-tridecylbenzenesulfonamide
CID 3514704
butyl-methyl-phenylphosphane
CID 14832966
N-nonan-4-ylbenzenesulfonamide
CID 174769116
N-[(Z)-non-1-enyl]benzenesulfonamide
CID 57205320
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
N-(2-methylheptyl)benzenesulfonamide
CID 143260336
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
3-[dodecyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 132544716
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434

Frequently Asked Questions

What is the IUPAC name of N-[butyl(phenyl)phosphanyl]benzenesulfonamide?
The IUPAC name of N-[butyl(phenyl)phosphanyl]benzenesulfonamide (CID 118474039) is N-[butyl(phenyl)phosphanyl]benzenesulfonamide.
What is the SMILES notation for N-[butyl(phenyl)phosphanyl]benzenesulfonamide?
The canonical SMILES for N-[butyl(phenyl)phosphanyl]benzenesulfonamide is CCCCP(NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[butyl(phenyl)phosphanyl]benzenesulfonamide?
The InChIKey is CSRJXKGXPMALSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO2PS/c1-2-3-14-20(15-10-6-4-7-11-15)17-21(18,19)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3.
What are the key properties of N-[butyl(phenyl)phosphanyl]benzenesulfonamide?
N-[butyl(phenyl)phosphanyl]benzenesulfonamide has a molecular weight of 321.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(phenyl)phosphanyl]benzenesulfonamide is sourced from PubChem (CID 118474039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).