methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate

C12H11FN2O4S2 — CID 61300948

IUPACmethyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2cc(N)cs2)ccc1F
InChIInChI=1S/C12H11FN2O4S2/c1-19-12(16)9-5-8(2-3-10(9)13)15-21(17,18)11-4-7(14)6-20-11/h2-6,15H,14H2,1H3
InChIKeyVRKPKFJWMJESOL-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.06
Rot. Bonds4

About methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate

methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate (PubChem CID 61300948) has the molecular formula C12H11FN2O4S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate
PubChem CID61300948
Molecular FormulaC12H11FN2O4S2
Molecular Weight330.36 g/mol
Exact Mass330.01
IUPAC Namemethyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2cc(N)cs2)ccc1F
InChIInChI=1S/C12H11FN2O4S2/c1-19-12(16)9-5-8(2-3-10(9)13)15-21(17,18)11-4-7(14)6-20-11/h2-6,15H,14H2,1H3
InChIKeyVRKPKFJWMJESOL-UHFFFAOYSA-N
XLogP2.06
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 61301108
4-amino-N-(4-chloro-3-fluorophenyl)thiophene-2-sulfonamide
CID 54955525
methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
CID 33490699
methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate
CID 61299815
4-amino-N-(3,5-dimethoxyphenyl)thiophene-2-sulfonamide
CID 61299375
methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691734
4-amino-N-(2-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 61300923
methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate
CID 61300755
4-amino-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61299189
4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 115375941
4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide
CID 107786924
4-amino-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55118253

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate?
The IUPAC name of methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate (CID 61300948) is methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate.
What is the SMILES notation for methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate?
The canonical SMILES for methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate is COC(=O)c1cc(NS(=O)(=O)c2cc(N)cs2)ccc1F.
What is the InChIKey of methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate?
The InChIKey is VRKPKFJWMJESOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S2/c1-19-12(16)9-5-8(2-3-10(9)13)15-21(17,18)11-4-7(14)6-20-11/h2-6,15H,14H2,1H3.
What are the key properties of methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate?
methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate has a molecular weight of 330.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate is sourced from PubChem (CID 61300948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).