4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate

C17H20NO4S- — CID 3691156

IUPAC4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(C)C)c([O-])cc2C)cc1
InChIInChI=1S/C17H21NO4S/c1-11(2)15-10-16(12(3)9-17(15)19)18-23(20,21)14-7-5-13(22-4)6-8-14/h5-11,18-19H,1-4H3/p-1
InChIKeyNGWJQCDRHNFCSY-UHFFFAOYSA-M
MW334.42 g/mol
LogP3.00
Rot. Bonds5

About 4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate

4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate (PubChem CID 3691156) has the molecular formula C17H20NO4S- and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate
PubChem CID3691156
Molecular FormulaC17H20NO4S-
Molecular Weight334.42 g/mol
Exact Mass334.11
IUPAC Name4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(C)C)c([O-])cc2C)cc1
InChIInChI=1S/C17H21NO4S/c1-11(2)15-10-16(12(3)9-17(15)19)18-23(20,21)14-7-5-13(22-4)6-8-14/h5-11,18-19H,1-4H3/p-1
InChIKeyNGWJQCDRHNFCSY-UHFFFAOYSA-M
XLogP3.00
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide
CID 99842338
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 750627
N-[2-[2-(1-hydroxyethyl)phenyl]phenyl]-4-methoxybenzenesulfonamide
CID 69255044
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
N-[3-(4-bromo-2-methylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2033586

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate?
The IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate (CID 3691156) is 4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate is COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c([O-])cc2C)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate?
The InChIKey is NGWJQCDRHNFCSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H21NO4S/c1-11(2)15-10-16(12(3)9-17(15)19)18-23(20,21)14-7-5-13(22-4)6-8-14/h5-11,18-19H,1-4H3/p-1.
What are the key properties of 4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate?
4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate has a molecular weight of 334.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate is sourced from PubChem (CID 3691156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).