methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate

C12H11ClN2O4S2 — CID 61300755

IUPACmethyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(N)cs2)c1
InChIInChI=1S/C12H11ClN2O4S2/c1-19-12(16)7-2-3-9(13)10(4-7)15-21(17,18)11-5-8(14)6-20-11/h2-6,15H,14H2,1H3
InChIKeyPWARGZXGHKFHTE-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.57
Rot. Bonds4

About methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate

methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate (PubChem CID 61300755) has the molecular formula C12H11ClN2O4S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate
PubChem CID61300755
Molecular FormulaC12H11ClN2O4S2
Molecular Weight346.82 g/mol
Exact Mass345.98
IUPAC Namemethyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(N)cs2)c1
InChIInChI=1S/C12H11ClN2O4S2/c1-19-12(16)7-2-3-9(13)10(4-7)15-21(17,18)11-5-8(14)6-20-11/h2-6,15H,14H2,1H3
InChIKeyPWARGZXGHKFHTE-UHFFFAOYSA-N
XLogP2.57
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2,5-dichlorophenyl)thiophene-2-sulfonamide
CID 61299181
methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate
CID 8500236
methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267
methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691733
methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate
CID 61300948
4-amino-N-(4-chloro-3-fluorophenyl)thiophene-2-sulfonamide
CID 54955525
2-[(4-aminothiophen-2-yl)sulfonylamino]benzamide
CID 61301321
methyl 4-chloro-3-(piperidin-1-ylsulfonylamino)benzoate
CID 110705948
methyl 3-chloro-4-(methanesulfonamido)benzoate
CID 91671526
methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate
CID 61299815
4-amino-N-(3,5-dimethoxyphenyl)thiophene-2-sulfonamide
CID 61299375
4-amino-N-(2-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 61300923

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate (CID 61300755) is methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(N)cs2)c1.
What is the InChIKey of methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate?
The InChIKey is PWARGZXGHKFHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S2/c1-19-12(16)7-2-3-9(13)10(4-7)15-21(17,18)11-5-8(14)6-20-11/h2-6,15H,14H2,1H3.
What are the key properties of methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate?
methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate has a molecular weight of 346.82 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate is sourced from PubChem (CID 61300755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).