methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate

C17H17Cl2NO7S — CID 2799262

IUPACmethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(OC)c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H17Cl2NO7S/c1-24-13-8-12(17(21)27-4)14(16(26-3)15(13)25-2)20-28(22,23)11-6-9(18)5-10(19)7-11/h5-8,20H,1-4H3
InChIKeyNCPOQTLBKTUOJF-UHFFFAOYSA-N
MW450.30 g/mol
LogP3.61
Rot. Bonds7

About methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate

methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate (PubChem CID 2799262) has the molecular formula C17H17Cl2NO7S and a molecular weight of 450.30 g/mol. Its IUPAC name is methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate
PubChem CID2799262
Molecular FormulaC17H17Cl2NO7S
Molecular Weight450.30 g/mol
Exact Mass449.01
IUPAC Namemethyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(OC)c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H17Cl2NO7S/c1-24-13-8-12(17(21)27-4)14(16(26-3)15(13)25-2)20-28(22,23)11-6-9(18)5-10(19)7-11/h5-8,20H,1-4H3
InChIKeyNCPOQTLBKTUOJF-UHFFFAOYSA-N
XLogP3.61
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3,4,5-trimethoxy-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoate
CID 55362483
methyl 3,4,5-trimethoxy-2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 2961091
2-[(4-hydroxy-3-methoxycarbonylphenyl)sulfonylamino]-3,4,5-trimethoxybenzoic acid
CID 55894761
3,4,5-trimethoxy-2-[(3-methoxycarbonylphenyl)sulfonylamino]benzoic acid
CID 31703151
methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate
CID 15406018
3,5-dichloro-N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenesulfonamide
CID 122664776
2-[(4-carbamoylphenyl)sulfonylamino]-3,4,5-trimethoxybenzoic acid
CID 45307853
2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid
CID 52863453
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 8603632
methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate
CID 19170724
3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 17426161
3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 143337884

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate?
The IUPAC name of methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate (CID 2799262) is methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate.
What is the SMILES notation for methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate?
The canonical SMILES for methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate is COC(=O)c1cc(OC)c(OC)c(OC)c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate?
The InChIKey is NCPOQTLBKTUOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO7S/c1-24-13-8-12(17(21)27-4)14(16(26-3)15(13)25-2)20-28(22,23)11-6-9(18)5-10(19)7-11/h5-8,20H,1-4H3.
What are the key properties of methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate?
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate has a molecular weight of 450.30 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate is sourced from PubChem (CID 2799262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).