methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate

C21H25ClN2O6S — CID 31840810

IUPACmethyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C21H25ClN2O6S/c1-29-18-9-6-5-8-17(18)24-31(27,28)19-14-15(11-12-16(19)22)21(26)23-13-7-3-4-10-20(25)30-2/h5-6,8-9,11-12,14,24H,3-4,7,10,13H2,1-2H3,(H,23,26)
InChIKeyRSBCISWPEMLCQA-UHFFFAOYSA-N
MW468.96 g/mol
LogP3.61
Rot. Bonds11

About methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate

methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate (PubChem CID 31840810) has the molecular formula C21H25ClN2O6S and a molecular weight of 468.96 g/mol. Its IUPAC name is methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate
PubChem CID31840810
Molecular FormulaC21H25ClN2O6S
Molecular Weight468.96 g/mol
Exact Mass468.11
IUPAC Namemethyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C21H25ClN2O6S/c1-29-18-9-6-5-8-17(18)24-31(27,28)19-14-15(11-12-16(19)22)21(26)23-13-7-3-4-10-20(25)30-2/h5-6,8-9,11-12,14,24H,3-4,7,10,13H2,1-2H3,(H,23,26)
InChIKeyRSBCISWPEMLCQA-UHFFFAOYSA-N
XLogP3.61
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate 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

4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride
CID 53314731
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
4-chloro-N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46422535
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46525069
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide
CID 55659385
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 25352878
N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55947709
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate?
The IUPAC name of methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate (CID 31840810) is methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate is COC(=O)CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1.
What is the InChIKey of methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate?
The InChIKey is RSBCISWPEMLCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O6S/c1-29-18-9-6-5-8-17(18)24-31(27,28)19-14-15(11-12-16(19)22)21(26)23-13-7-3-4-10-20(25)30-2/h5-6,8-9,11-12,14,24H,3-4,7,10,13H2,1-2H3,(H,23,26).
What are the key properties of methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate?
methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate has a molecular weight of 468.96 g/mol, XLogP of 3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate is sourced from PubChem (CID 31840810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).