4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide

C11H18BrN3O3S — CID 61132628

IUPAC4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C11H18BrN3O3S/c1-8(2)15-7-9(12)6-10(15)11(16)14-4-3-5-19(13,17)18/h6-8H,3-5H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyFXHPQLKBYYZHGC-UHFFFAOYSA-N
MW352.25 g/mol
LogP1.24
Rot. Bonds6

About 4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide

4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide (PubChem CID 61132628) has the molecular formula C11H18BrN3O3S and a molecular weight of 352.25 g/mol. Its IUPAC name is 4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide
PubChem CID61132628
Molecular FormulaC11H18BrN3O3S
Molecular Weight352.25 g/mol
Exact Mass351.03
IUPAC Name4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C11H18BrN3O3S/c1-8(2)15-7-9(12)6-10(15)11(16)14-4-3-5-19(13,17)18/h6-8H,3-5H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyFXHPQLKBYYZHGC-UHFFFAOYSA-N
XLogP1.24
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(4-methylpentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54913924
4-bromo-N-[3-(ethylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43640199
N-(3-aminobutyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 63253541
4-bromo-N-[2-(2-methylpropanoylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61248454
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]ethyl carbamate
CID 83203517
4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide
CID 82943572
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78895723
4-bromo-1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 103706867
4-bromo-N-[2-(2-hydroxypropylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 104593748
4-bromo-N-(2-butoxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61175688
N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612342
4-bromo-N-but-2-ynyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115866879

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide (CID 61132628) is 4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide?
The InChIKey is FXHPQLKBYYZHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O3S/c1-8(2)15-7-9(12)6-10(15)11(16)14-4-3-5-19(13,17)18/h6-8H,3-5H2,1-2H3,(H,14,16)(H2,13,17,18).
What are the key properties of 4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide?
4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide has a molecular weight of 352.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61132628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).