methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate

C13H10ClF2NO5S2 — CID 39828527

IUPACmethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H10ClF2NO5S2/c1-21-12(18)11-9(4-5-23-11)17-24(19,20)7-2-3-10(8(14)6-7)22-13(15)16/h2-6,13,17H,1H3
InChIKeyZXIWBLOQYGIPPM-UHFFFAOYSA-N
MW397.81 g/mol
LogP3.59
Rot. Bonds6

About methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate

methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate (PubChem CID 39828527) has the molecular formula C13H10ClF2NO5S2 and a molecular weight of 397.81 g/mol. Its IUPAC name is methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate
PubChem CID39828527
Molecular FormulaC13H10ClF2NO5S2
Molecular Weight397.81 g/mol
Exact Mass396.97
IUPAC Namemethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H10ClF2NO5S2/c1-21-12(18)11-9(4-5-23-11)17-24(19,20)7-2-3-10(8(14)6-7)22-13(15)16/h2-6,13,17H,1H3
InChIKeyZXIWBLOQYGIPPM-UHFFFAOYSA-N
XLogP3.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.81
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
CID 39824744
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-[(2,5-dichlorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 1358389
3-[(3,4-dichlorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 2807688
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 30713838
(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104936024
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 38890684
N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide
CID 39831666
S-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl] N,N-dimethylcarbamothioate
CID 56506575
methyl 3-[(2,5-difluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 6469470

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate (CID 39828527) is methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate?
The InChIKey is ZXIWBLOQYGIPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO5S2/c1-21-12(18)11-9(4-5-23-11)17-24(19,20)7-2-3-10(8(14)6-7)22-13(15)16/h2-6,13,17H,1H3.
What are the key properties of methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate?
methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate has a molecular weight of 397.81 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 39828527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).