1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide

C19H18IN3O3S — CID 60604256

IUPAC1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccn2-c2cccc(I)c2)cc1
InChIInChI=1S/C19H18IN3O3S/c20-15-3-1-4-16(13-15)23-12-2-5-18(23)19(24)22-11-10-14-6-8-17(9-7-14)27(21,25)26/h1-9,12-13H,10-11H2,(H,22,24)(H2,21,25,26)
InChIKeyNIKKMYRVMFPIRR-UHFFFAOYSA-N
MW495.34 g/mol
LogP2.70
Rot. Bonds6

About 1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide

1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide (PubChem CID 60604256) has the molecular formula C19H18IN3O3S and a molecular weight of 495.34 g/mol. Its IUPAC name is 1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
PubChem CID60604256
Molecular FormulaC19H18IN3O3S
Molecular Weight495.34 g/mol
Exact Mass495.01
IUPAC Name1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccn2-c2cccc(I)c2)cc1
InChIInChI=1S/C19H18IN3O3S/c20-15-3-1-4-16(13-15)23-12-2-5-18(23)19(24)22-11-10-14-6-8-17(9-7-14)27(21,25)26/h1-9,12-13H,10-11H2,(H,22,24)(H2,21,25,26)
InChIKeyNIKKMYRVMFPIRR-UHFFFAOYSA-N
XLogP2.70
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52998688
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52563431
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110310749
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide
CID 103511158
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 29484698
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 45493285

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide (CID 60604256) is 1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cccn2-c2cccc(I)c2)cc1.
What is the InChIKey of 1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
The InChIKey is NIKKMYRVMFPIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN3O3S/c20-15-3-1-4-16(13-15)23-12-2-5-18(23)19(24)22-11-10-14-6-8-17(9-7-14)27(21,25)26/h1-9,12-13H,10-11H2,(H,22,24)(H2,21,25,26).
What are the key properties of 1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 495.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 60604256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).