4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide

C15H18BrN3O4S — CID 134040694

IUPAC4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H18BrN3O4S/c1-4-23-13-6-5-11(8-14(13)24(21,22)19(2)3)18-15(20)12-7-10(16)9-17-12/h5-9,17H,4H2,1-3H3,(H,18,20)
InChIKeyQKKBSICIJXLVQJ-UHFFFAOYSA-N
MW416.30 g/mol
LogP2.68
Rot. Bonds6

About 4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide (PubChem CID 134040694) has the molecular formula C15H18BrN3O4S and a molecular weight of 416.30 g/mol. Its IUPAC name is 4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide
PubChem CID134040694
Molecular FormulaC15H18BrN3O4S
Molecular Weight416.30 g/mol
Exact Mass415.02
IUPAC Name4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H18BrN3O4S/c1-4-23-13-6-5-11(8-14(13)24(21,22)19(2)3)18-15(20)12-7-10(16)9-17-12/h5-9,17H,4H2,1-3H3,(H,18,20)
InChIKeyQKKBSICIJXLVQJ-UHFFFAOYSA-N
XLogP2.68
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide 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

4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 17459532
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
CID 9470026
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide
CID 31743702
N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942871
ethyl 5-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17414941
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9470148
4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide
CID 47267908

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide (CID 134040694) is 4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide is CCOc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QKKBSICIJXLVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O4S/c1-4-23-13-6-5-11(8-14(13)24(21,22)19(2)3)18-15(20)12-7-10(16)9-17-12/h5-9,17H,4H2,1-3H3,(H,18,20).
What are the key properties of 4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 416.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 134040694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).