4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide

C19H18N2O4S3 — CID 1249295

IUPAC4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C19H18N2O4S3/c1-26-17-9-13-19(14-10-17)28(24,25)21-16-7-11-18(12-8-16)27(22,23)20-15-5-3-2-4-6-15/h2-14,20-21H,1H3
InChIKeyALVRJPBYTVABLL-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.01
Rot. Bonds7

About 4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide

4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide (PubChem CID 1249295) has the molecular formula C19H18N2O4S3 and a molecular weight of 434.56 g/mol. Its IUPAC name is 4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
PubChem CID1249295
Molecular FormulaC19H18N2O4S3
Molecular Weight434.56 g/mol
Exact Mass434.04
IUPAC Name4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C19H18N2O4S3/c1-26-17-9-13-19(14-10-17)28(24,25)21-16-7-11-18(12-8-16)27(22,23)20-15-5-3-2-4-6-15/h2-14,20-21H,1H3
InChIKeyALVRJPBYTVABLL-UHFFFAOYSA-N
XLogP4.01
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 43454843
N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 2967801
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638103
3-[4-[(4-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8860708
N-(3-chloro-4-methylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 126416212
N-(2,5-dimethylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 2978852
N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide
CID 78875489
3-amino-4-bromo-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 115328665
N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
CID 95050814
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide (CID 1249295) is 4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide is CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide?
The InChIKey is ALVRJPBYTVABLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S3/c1-26-17-9-13-19(14-10-17)28(24,25)21-16-7-11-18(12-8-16)27(22,23)20-15-5-3-2-4-6-15/h2-14,20-21H,1H3.
What are the key properties of 4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide?
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide has a molecular weight of 434.56 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 1249295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).