2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid

C18H20ClNO8S — CID 39829304

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
SMILESCOCCOc1cc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(C(=O)O)cc1OC
InChIInChI=1S/C18H20ClNO8S/c1-25-6-7-28-17-10-14(12(18(21)22)9-16(17)27-3)20-29(23,24)11-4-5-15(26-2)13(19)8-11/h4-5,8-10,20H,6-7H2,1-3H3,(H,21,22)
InChIKeyLMNBGHLUSAIZNW-UHFFFAOYSA-N
MW445.88 g/mol
LogP2.88
Rot. Bonds10

About 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid (PubChem CID 39829304) has the molecular formula C18H20ClNO8S and a molecular weight of 445.88 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
PubChem CID39829304
Molecular FormulaC18H20ClNO8S
Molecular Weight445.88 g/mol
Exact Mass445.06
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
SMILESCOCCOc1cc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(C(=O)O)cc1OC
InChIInChI=1S/C18H20ClNO8S/c1-25-6-7-28-17-10-14(12(18(21)22)9-16(17)27-3)20-29(23,24)11-4-5-15(26-2)13(19)8-11/h4-5,8-10,20H,6-7H2,1-3H3,(H,21,22)
InChIKeyLMNBGHLUSAIZNW-UHFFFAOYSA-N
XLogP2.88
TPSA120.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.88
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chloro-3-nitrophenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
CID 24580523
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
CID 24580580
2-[(2,6-dichloro-3-pyridinyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
CID 47088946
2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
CID 24580568
2-[(5-bromo-2-methylphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
CID 24580581
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 8603632
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45478490
N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46417535
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
2-[(4-hexylphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
CID 84552363

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid (CID 39829304) is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid is COCCOc1cc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(C(=O)O)cc1OC.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid?
The InChIKey is LMNBGHLUSAIZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO8S/c1-25-6-7-28-17-10-14(12(18(21)22)9-16(17)27-3)20-29(23,24)11-4-5-15(26-2)13(19)8-11/h4-5,8-10,20H,6-7H2,1-3H3,(H,21,22).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid?
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid has a molecular weight of 445.88 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid is sourced from PubChem (CID 39829304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).