N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide

C21H21NO3S2 — CID 100925407

IUPACN,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21NO3S2/c1-16-8-12-18(13-9-16)26(23)21-7-5-4-6-20(21)22(3)27(24,25)19-14-10-17(2)11-15-19/h4-15H,1-3H3
InChIKeyNSYADGLXQRLCNL-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.30
Rot. Bonds5

About N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide

N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide (PubChem CID 100925407) has the molecular formula C21H21NO3S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide
PubChem CID100925407
Molecular FormulaC21H21NO3S2
Molecular Weight399.54 g/mol
Exact Mass399.10
IUPAC NameN,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21NO3S2/c1-16-8-12-18(13-9-16)26(23)21-7-5-4-6-20(21)22(3)27(24,25)19-14-10-17(2)11-15-19/h4-15H,1-3H3
InChIKeyNSYADGLXQRLCNL-UHFFFAOYSA-N
XLogP4.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-7-oxocyclohepta-1,3,5-trien-1-yl)-N,4-dimethylbenzenesulfonamide
CID 12557679
2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 951596
N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 27055363
N-(6-methoxy-7-oxocyclohepta-1,3,5-trien-1-yl)-N,4-dimethylbenzenesulfonamide
CID 12557676
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide
CID 131843711
4-methyl-N-(2-methylphenyl)benzenesulfonohydrazide
CID 175041346
N-[(S)-cyano-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]methyl]-4-methylbenzenesulfonamide
CID 16754095
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
1-fluoro-3-(4-methylphenyl)sulfinyl-2-phenylbenzene
CID 119025559
N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 95046460
trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane
CID 85436146

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide (CID 100925407) is N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide is Cc1ccc(S(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide?
The InChIKey is NSYADGLXQRLCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S2/c1-16-8-12-18(13-9-16)26(23)21-7-5-4-6-20(21)22(3)27(24,25)19-14-10-17(2)11-15-19/h4-15H,1-3H3.
What are the key properties of N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide?
N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide has a molecular weight of 399.54 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide is sourced from PubChem (CID 100925407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).