ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate

C17H19NO4S — CID 150114167

IUPACethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO4S/c1-4-22-17(19)15-11-13(3)7-10-16(15)18-23(20,21)14-8-5-12(2)6-9-14/h5-11,18H,4H2,1-3H3
InChIKeyDXWTXYFRPNBVGM-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.28
Rot. Bonds5

About ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate

ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate (PubChem CID 150114167) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
PubChem CID150114167
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Nameethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO4S/c1-4-22-17(19)15-11-13(3)7-10-16(15)18-23(20,21)14-8-5-12(2)6-9-14/h5-11,18H,4H2,1-3H3
InChIKeyDXWTXYFRPNBVGM-UHFFFAOYSA-N
XLogP3.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 102223921
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate
CID 47063153
ethyl 2-[(4-bromo-3-methylphenyl)sulfonylamino]benzoate
CID 2696978
4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 8523206
4-methyl-N-[4-methyl-2-(2-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59788740
ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 95969690
ethane;methyl 3,4-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 144649558

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate (CID 150114167) is ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate is CCOC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate?
The InChIKey is DXWTXYFRPNBVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-4-22-17(19)15-11-13(3)7-10-16(15)18-23(20,21)14-8-5-12(2)6-9-14/h5-11,18H,4H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate?
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate has a molecular weight of 333.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 150114167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).