N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide

C31H28N2O4S2 — CID 158565705

IUPACN,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1.O=S(=O)(c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15NO2S.C13H13NO2S/c20-22(21,18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17;1-14(12-8-4-2-5-9-12)17(15,16)13-10-6-3-7-11-13/h1-15H;2-11H,1H3
InChIKeyHRLGDBRGIJINTR-UHFFFAOYSA-N
MW556.71 g/mol
LogP6.73
Rot. Bonds7

About N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide

N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide (PubChem CID 158565705) has the molecular formula C31H28N2O4S2 and a molecular weight of 556.71 g/mol. Its IUPAC name is N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
PubChem CID158565705
Molecular FormulaC31H28N2O4S2
Molecular Weight556.71 g/mol
Exact Mass556.15
IUPAC NameN,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1.O=S(=O)(c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15NO2S.C13H13NO2S/c20-22(21,18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17;1-14(12-8-4-2-5-9-12)17(15,16)13-10-6-3-7-11-13/h1-15H;2-11H,1H3
InChIKeyHRLGDBRGIJINTR-UHFFFAOYSA-N
XLogP6.73
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359
N,N-bis(4-hydroxyphenyl)benzenesulfonamide
CID 44580343
N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide
CID 110827096
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide
CID 925037
carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 159596379
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide (CID 158565705) is N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccccc1.O=S(=O)(c1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is HRLGDBRGIJINTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S.C13H13NO2S/c20-22(21,18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17;1-14(12-8-4-2-5-9-12)17(15,16)13-10-6-3-7-11-13/h1-15H;2-11H,1H3.
What are the key properties of N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide?
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 556.71 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 158565705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).