2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide

C16H18N2O4S — CID 91824586

IUPAC2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2C(N)=O)c(C)cc1C
InChIInChI=1S/C16H18N2O4S/c1-10-8-11(2)15(9-14(10)22-3)23(20,21)18-13-7-5-4-6-12(13)16(17)19/h4-9,18H,1-3H3,(H2,17,19)
InChIKeyNQHRKMBDJXLZPK-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.21
Rot. Bonds5

About 2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide

2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide (PubChem CID 91824586) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide
PubChem CID91824586
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2C(N)=O)c(C)cc1C
InChIInChI=1S/C16H18N2O4S/c1-10-8-11(2)15(9-14(10)22-3)23(20,21)18-13-7-5-4-6-12(13)16(17)19/h4-9,18H,1-3H3,(H2,17,19)
InChIKeyNQHRKMBDJXLZPK-UHFFFAOYSA-N
XLogP2.21
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzamide
CID 91824621
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 94619748
2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide
CID 17412326
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzamide
CID 91824572
3-[(2-methoxyphenyl)sulfonylamino]-2-methylbenzamide
CID 86983204
methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate
CID 27242666
N-[2-(methanesulfonamido)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113093443
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
2-[(2-aminophenyl)sulfonylamino]benzamide
CID 43576271
N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146672107
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide (CID 91824586) is 2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide is COc1cc(S(=O)(=O)Nc2ccccc2C(N)=O)c(C)cc1C.
What is the InChIKey of 2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide?
The InChIKey is NQHRKMBDJXLZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10-8-11(2)15(9-14(10)22-3)23(20,21)18-13-7-5-4-6-12(13)16(17)19/h4-9,18H,1-3H3,(H2,17,19).
What are the key properties of 2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide?
2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide has a molecular weight of 334.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 91824586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).