methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate

C15H16ClNO7S2 — CID 51049222

IUPACmethyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H16ClNO7S2/c1-21-9-5-8(6-10(22-2)13(9)23-3)17-26(19,20)11-7-12(16)25-14(11)15(18)24-4/h5-7,17H,1-4H3
InChIKeyMAFCMPJKZMDPSB-UHFFFAOYSA-N
MW421.88 g/mol
LogP3.01
Rot. Bonds7

About methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate

methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 51049222) has the molecular formula C15H16ClNO7S2 and a molecular weight of 421.88 g/mol. Its IUPAC name is methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID51049222
Molecular FormulaC15H16ClNO7S2
Molecular Weight421.88 g/mol
Exact Mass421.01
IUPAC Namemethyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H16ClNO7S2/c1-21-9-5-8(6-10(22-2)13(9)23-3)17-26(19,20)11-7-12(16)25-14(11)15(18)24-4/h5-7,17H,1-4H3
InChIKeyMAFCMPJKZMDPSB-UHFFFAOYSA-N
XLogP3.01
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate
CID 28748643
methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate
CID 53069046
2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 2988024
methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 67970194
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide
CID 53092178
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid
CID 52863495
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 8512676
methyl 5-chloro-3-fluorothiophene-2-carboxylate
CID 71425499
1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide
CID 83092973
methyl 3-chloro-6-[(3,4,5-trimethoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate
CID 19678023

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate (CID 51049222) is methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is MAFCMPJKZMDPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO7S2/c1-21-9-5-8(6-10(22-2)13(9)23-3)17-26(19,20)11-7-12(16)25-14(11)15(18)24-4/h5-7,17H,1-4H3.
What are the key properties of methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 421.88 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 51049222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).