4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide

C13H14BrN3O3S — CID 60954543

IUPAC4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H14BrN3O3S/c1-17-8-10(14)6-12(17)13(18)16-7-9-3-2-4-11(5-9)21(15,19)20/h2-6,8H,7H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyGHVPJCYYGISOTN-UHFFFAOYSA-N
MW372.24 g/mol
LogP1.37
Rot. Bonds4

About 4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide

4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 60954543) has the molecular formula C13H14BrN3O3S and a molecular weight of 372.24 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide
PubChem CID60954543
Molecular FormulaC13H14BrN3O3S
Molecular Weight372.24 g/mol
Exact Mass370.99
IUPAC Name4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H14BrN3O3S/c1-17-8-10(14)6-12(17)13(18)16-7-9-3-2-4-11(5-9)21(15,19)20/h2-6,8H,7H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyGHVPJCYYGISOTN-UHFFFAOYSA-N
XLogP1.37
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-methylpyrrole-2-carboxamide
CID 81090225
3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide
CID 55641528
2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 166221897
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
4-bromo-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43411105
N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 32637125
2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 62638953
5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide
CID 55852739
3,5-dimethyl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 61260778
N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34376886
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide (CID 60954543) is 4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)NCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is GHVPJCYYGISOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3S/c1-17-8-10(14)6-12(17)13(18)16-7-9-3-2-4-11(5-9)21(15,19)20/h2-6,8H,7H2,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of 4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide?
4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 372.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 60954543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).