2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide

C17H21NO5S2 — CID 110300252

IUPAC2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H21NO5S2/c1-12(2)13-5-7-14(8-6-13)18-25(21,22)17-11-15(24(4,19)20)9-10-16(17)23-3/h5-12,18H,1-4H3
InChIKeyXNQFTDKZWGRISY-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.02
Rot. Bonds6

About 2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide

2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 110300252) has the molecular formula C17H21NO5S2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
PubChem CID110300252
Molecular FormulaC17H21NO5S2
Molecular Weight383.49 g/mol
Exact Mass383.09
IUPAC Name2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H21NO5S2/c1-12(2)13-5-7-14(8-6-13)18-25(21,22)17-11-15(24(4,19)20)9-10-16(17)23-3/h5-12,18H,1-4H3
InChIKeyXNQFTDKZWGRISY-UHFFFAOYSA-N
XLogP3.02
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-methoxy-5-methylsulfonylbenzenesulfonamide
CID 110300283
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757601
4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 15944042
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 27658149
N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide
CID 8518583
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 20935095
N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide
CID 110300241
N-(4-butan-2-ylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18092817
2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 110300294
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide (CID 110300252) is 2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide is COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is XNQFTDKZWGRISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S2/c1-12(2)13-5-7-14(8-6-13)18-25(21,22)17-11-15(24(4,19)20)9-10-16(17)23-3/h5-12,18H,1-4H3.
What are the key properties of 2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide?
2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 383.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110300252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).