methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate

C25H23ClN4O4S — CID 155271601

IUPACmethyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate
SMILESCOC(=O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-c3ccnn3C)c(Cl)cc2-n2cccc2)c1
InChIInChI=1S/C25H23ClN4O4S/c1-29-22(9-10-27-29)19-14-21(23(15-20(19)26)30-11-3-4-12-30)28-35(32,33)24-13-17(25(31)34-2)7-8-18(24)16-5-6-16/h3-4,7-16,28H,5-6H2,1-2H3
InChIKeyATKLHPSRQCRLLJ-UHFFFAOYSA-N
MW511.00 g/mol
LogP5.00
Rot. Bonds7

About methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate

methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate (PubChem CID 155271601) has the molecular formula C25H23ClN4O4S and a molecular weight of 511.00 g/mol. Its IUPAC name is methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate
PubChem CID155271601
Molecular FormulaC25H23ClN4O4S
Molecular Weight511.00 g/mol
Exact Mass510.11
IUPAC Namemethyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate
SMILESCOC(=O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-c3ccnn3C)c(Cl)cc2-n2cccc2)c1
InChIInChI=1S/C25H23ClN4O4S/c1-29-22(9-10-27-29)19-14-21(23(15-20(19)26)30-11-3-4-12-30)28-35(32,33)24-13-17(25(31)34-2)7-8-18(24)16-5-6-16/h3-4,7-16,28H,5-6H2,1-2H3
InChIKeyATKLHPSRQCRLLJ-UHFFFAOYSA-N
XLogP5.00
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.00
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_G(4)', 'substructure': 'N/A'}

Analyze methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[4-chloro-2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]-4-cyclopropylbenzoate
CID 155271593
methyl 3-[(5-cyano-2-pyrrol-1-ylphenyl)sulfamoyl]-4-cyclopropylbenzoate
CID 155271393
4-cyclopropyl-3-[[5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]methylsulfonyl]benzoic acid
CID 167573325
4-cyclopropyl-3-[[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 155271369
3-[[4-chloro-5-(5-methyl-1,2-oxazol-4-yl)-2-pyrrol-1-ylphenyl]methylsulfonyl]-4-cyclopropylbenzoic acid
CID 167600506
methyl 3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoate
CID 155271672
methyl 3-[[2-cyclopentyloxy-5-(1,2-thiazol-5-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoate
CID 167444920
methyl 4-cyclopropyl-3-[[2-thiophen-2-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 155718047
3-[[4-chloro-2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]-4-ethylbenzoic acid
CID 155271253
methyl 3-[(3-chloro-2-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507003
methyl 3-[[5-cyano-2-(3,3-difluoropiperidin-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoate
CID 150484718
methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate
CID 146092511

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate?
The IUPAC name of methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate (CID 155271601) is methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate.
What is the SMILES notation for methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate?
The canonical SMILES for methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate is COC(=O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-c3ccnn3C)c(Cl)cc2-n2cccc2)c1.
What is the InChIKey of methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate?
The InChIKey is ATKLHPSRQCRLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O4S/c1-29-22(9-10-27-29)19-14-21(23(15-20(19)26)30-11-3-4-12-30)28-35(32,33)24-13-17(25(31)34-2)7-8-18(24)16-5-6-16/h3-4,7-16,28H,5-6H2,1-2H3.
What are the key properties of methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate?
methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate has a molecular weight of 511.00 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-chloro-5-(2-methylpyrazol-3-yl)-2-pyrrol-1-ylphenyl]sulfamoyl]-4-cyclopropylbenzoate is sourced from PubChem (CID 155271601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).