methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate

C15H13Cl2NO5S — CID 19170724

IUPACmethyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate
SMILESCOC(=O)c1cc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C15H13Cl2NO5S/c1-22-14-8-13(12(17)7-11(14)15(19)23-2)18-24(20,21)10-5-3-9(16)4-6-10/h3-8,18H,1-2H3
InChIKeyNIYYIMFMEKVTLV-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.59
Rot. Bonds5

About methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate

methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate (PubChem CID 19170724) has the molecular formula C15H13Cl2NO5S and a molecular weight of 390.24 g/mol. Its IUPAC name is methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate
PubChem CID19170724
Molecular FormulaC15H13Cl2NO5S
Molecular Weight390.24 g/mol
Exact Mass388.99
IUPAC Namemethyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate
SMILESCOC(=O)c1cc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C15H13Cl2NO5S/c1-22-14-8-13(12(17)7-11(14)15(19)23-2)18-24(20,21)10-5-3-9(16)4-6-10/h3-8,18H,1-2H3
InChIKeyNIYYIMFMEKVTLV-UHFFFAOYSA-N
XLogP3.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 8603632
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CID 39977655
methyl 2-[(4-iodophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 3486727
5-chloro-2-methoxy-4-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
CID 43614478
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
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4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
methyl 5-chlorosulfonyl-2-methoxybenzoate
CID 43436733
N-[2-chloro-4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25042468
5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid
CID 84760610
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
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N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate?
The IUPAC name of methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate (CID 19170724) is methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate?
The canonical SMILES for methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate is COC(=O)c1cc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate?
The InChIKey is NIYYIMFMEKVTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO5S/c1-22-14-8-13(12(17)7-11(14)15(19)23-2)18-24(20,21)10-5-3-9(16)4-6-10/h3-8,18H,1-2H3.
What are the key properties of methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate?
methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate has a molecular weight of 390.24 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate is sourced from PubChem (CID 19170724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).