N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide

C26H22Cl2NO2PS2 — CID 102310004

IUPACN-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccccc2)P(=S)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H22Cl2NO2PS2/c1-19-7-17-25(18-8-19)34(30,31)29-26(20-5-3-2-4-6-20)32(33,23-13-9-21(27)10-14-23)24-15-11-22(28)12-16-24/h2-18,26,29H,1H3/t26-/m0/s1
InChIKeyZJEUCVWZXUGNEC-SANMLTNESA-N
MW546.48 g/mol
LogP6.41
Rot. Bonds7

About N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide

N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide (PubChem CID 102310004) has the molecular formula C26H22Cl2NO2PS2 and a molecular weight of 546.48 g/mol. Its IUPAC name is N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide
PubChem CID102310004
Molecular FormulaC26H22Cl2NO2PS2
Molecular Weight546.48 g/mol
Exact Mass545.02
IUPAC NameN-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccccc2)P(=S)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H22Cl2NO2PS2/c1-19-7-17-25(18-8-19)34(30,31)29-26(20-5-3-2-4-6-20)32(33,23-13-9-21(27)10-14-23)24-15-11-22(28)12-16-24/h2-18,26,29H,1H3/t26-/m0/s1
InChIKeyZJEUCVWZXUGNEC-SANMLTNESA-N
XLogP6.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.48
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
N-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-4-methylbenzenesulfonamide
CID 16743563
N-[(E)-5-(4-chlorophenyl)-3-oxo-1-phenylpent-4-enyl]-4-methylbenzenesulfonamide
CID 101494243
1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea
CID 15231970
1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene
CID 25242109
N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 26599279
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 10471593
N-[(1S)-2,2-dimethoxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 101203373
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
S-(4-chlorophenyl) (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanethioate
CID 16731789
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554

Frequently Asked Questions

What is the IUPAC name of N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide (CID 102310004) is N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)P(=S)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide?
The InChIKey is ZJEUCVWZXUGNEC-SANMLTNESA-N. The full InChI is InChI=1S/C26H22Cl2NO2PS2/c1-19-7-17-25(18-8-19)34(30,31)29-26(20-5-3-2-4-6-20)32(33,23-13-9-21(27)10-14-23)24-15-11-22(28)12-16-24/h2-18,26,29H,1H3/t26-/m0/s1.
What are the key properties of N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide?
N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide has a molecular weight of 546.48 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-bis(4-chlorophenyl)phosphinothioyl-phenylmethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102310004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).