methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate

C12H10ClNO4S — CID 2741384

IUPACmethyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO4S/c1-18-12(15)11-3-2-8-14(11)19(16,17)10-6-4-9(13)5-7-10/h2-8H,1H3
InChIKeyQYTITFLQXNUGJP-UHFFFAOYSA-N
MW299.74 g/mol
LogP2.17
Rot. Bonds3

About methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate

methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate (PubChem CID 2741384) has the molecular formula C12H10ClNO4S and a molecular weight of 299.74 g/mol. Its IUPAC name is methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate
PubChem CID2741384
Molecular FormulaC12H10ClNO4S
Molecular Weight299.74 g/mol
Exact Mass299.00
IUPAC Namemethyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO4S/c1-18-12(15)11-3-2-8-14(11)19(16,17)10-6-4-9(13)5-7-10/h2-8H,1H3
InChIKeyQYTITFLQXNUGJP-UHFFFAOYSA-N
XLogP2.17
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
CID 10851265
1-(benzenesulfonyl)pyrrole-2-carboxylic acid
CID 83653929
2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
CID 515927
1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide
CID 70983634
methyl 4-[(E)-2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]ethenyl]benzoate
CID 102230040
methyl 5-(4-chlorophenyl)-1-methylpyrrole-2-carboxylate
CID 117223101
1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one
CID 8593853
methyl 1-[1-(benzenesulfonyl)piperidin-4-yl]pyrrole-2-carboxylate
CID 51107428
methyl 1-(benzenesulfonyl)-4-formylpyrrole-2-carboxylate
CID 20624037
[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone
CID 22928710
tert-butyl N-methyl-N-[2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-oxoethyl]carbamate
CID 90359093
methyl 4-bromo-3-chloro-1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
CID 155367747

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate?
The IUPAC name of methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate (CID 2741384) is methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate?
The canonical SMILES for methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate is COC(=O)c1cccn1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate?
The InChIKey is QYTITFLQXNUGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4S/c1-18-12(15)11-3-2-8-14(11)19(16,17)10-6-4-9(13)5-7-10/h2-8H,1H3.
What are the key properties of methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate?
methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate has a molecular weight of 299.74 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate is sourced from PubChem (CID 2741384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).