5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide

C16H20N2O5S2 — CID 5021993

IUPAC5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C16H20N2O5S2/c1-12-5-6-13(11-16(12)25(21,22)18(2)3)17-24(19,20)15-9-7-14(23-4)8-10-15/h5-11,17H,1-4H3
InChIKeySUJXDRGREYXBAW-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.05
Rot. Bonds6

About 5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide

5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide (PubChem CID 5021993) has the molecular formula C16H20N2O5S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
PubChem CID5021993
Molecular FormulaC16H20N2O5S2
Molecular Weight384.48 g/mol
Exact Mass384.08
IUPAC Name5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C16H20N2O5S2/c1-12-5-6-13(11-16(12)25(21,22)18(2)3)17-24(19,20)15-9-7-14(23-4)8-10-15/h5-11,17H,1-4H3
InChIKeySUJXDRGREYXBAW-UHFFFAOYSA-N
XLogP2.05
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 7586511
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 4816105
6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide
CID 4875200
5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
CID 35748604
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide
CID 4878108
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
5-[(3,4-difluorophenyl)sulfonylamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 8519583
4-N,4-N-dimethyl-1-N-[4-methyl-3-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide
CID 24580780
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 46292269

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide?
The IUPAC name of 5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide (CID 5021993) is 5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide?
The InChIKey is SUJXDRGREYXBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S2/c1-12-5-6-13(11-16(12)25(21,22)18(2)3)17-24(19,20)15-9-7-14(23-4)8-10-15/h5-11,17H,1-4H3.
What are the key properties of 5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide?
5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide is sourced from PubChem (CID 5021993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).