methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate

C14H15ClN2O4S — CID 22551871

IUPACmethyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C14H15ClN2O4S/c1-21-14(18)13-8-12(9-16-13)22(19,20)17-7-6-10-2-4-11(15)5-3-10/h2-5,8-9,16-17H,6-7H2,1H3
InChIKeyRJKHJOQVIAEKDT-UHFFFAOYSA-N
MW342.80 g/mol
LogP1.98
Rot. Bonds6

About methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 22551871) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID22551871
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Namemethyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C14H15ClN2O4S/c1-21-14(18)13-8-12(9-16-13)22(19,20)17-7-6-10-2-4-11(15)5-3-10/h2-5,8-9,16-17H,6-7H2,1H3
InChIKeyRJKHJOQVIAEKDT-UHFFFAOYSA-N
XLogP1.98
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 6625900
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780760
4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 30055975
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
4-(3-phenylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 60913798
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate
CID 14476307
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate
CID 20938587
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate (CID 22551871) is methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)c[nH]1.
What is the InChIKey of methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is RJKHJOQVIAEKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-21-14(18)13-8-12(9-16-13)22(19,20)17-7-6-10-2-4-11(15)5-3-10/h2-5,8-9,16-17H,6-7H2,1H3.
What are the key properties of methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 342.80 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 22551871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).