methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

C13H13FN2O4S — CID 22552084

IUPACmethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2C)c[nH]1
InChIInChI=1S/C13H13FN2O4S/c1-8-5-9(14)3-4-11(8)16-21(18,19)10-6-12(15-7-10)13(17)20-2/h3-7,15-16H,1-2H3
InChIKeyDPPAQWZPXMIXGJ-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.05
Rot. Bonds4

About methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 22552084) has the molecular formula C13H13FN2O4S and a molecular weight of 312.32 g/mol. Its IUPAC name is methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID22552084
Molecular FormulaC13H13FN2O4S
Molecular Weight312.32 g/mol
Exact Mass312.06
IUPAC Namemethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2C)c[nH]1
InChIInChI=1S/C13H13FN2O4S/c1-8-5-9(14)3-4-11(8)16-21(18,19)10-6-12(15-7-10)13(17)20-2/h3-7,15-16H,1-2H3
InChIKeyDPPAQWZPXMIXGJ-UHFFFAOYSA-N
XLogP2.05
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629227
4-[(2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780701
4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106121
methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 20914906
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 56812215
4-[(3-hydroxy-2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714669
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 6625900
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 43455060

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 22552084) is methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2C)c[nH]1.
What is the InChIKey of methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is DPPAQWZPXMIXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S/c1-8-5-9(14)3-4-11(8)16-21(18,19)10-6-12(15-7-10)13(17)20-2/h3-7,15-16H,1-2H3.
What are the key properties of methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 22552084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).