5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide

C16H14BrN3O2S2 — CID 90557084

IUPAC5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cnc3n2CCC3)c1)c1ccc(Br)s1
InChIInChI=1S/C16H14BrN3O2S2/c17-14-6-7-16(23-14)24(21,22)19-12-4-1-3-11(9-12)13-10-18-15-5-2-8-20(13)15/h1,3-4,6-7,9-10,19H,2,5,8H2
InChIKeyXFKJKDXYUYLADM-UHFFFAOYSA-N
MW424.35 g/mol
LogP4.12
Rot. Bonds4

About 5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide

5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 90557084) has the molecular formula C16H14BrN3O2S2 and a molecular weight of 424.35 g/mol. Its IUPAC name is 5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide
PubChem CID90557084
Molecular FormulaC16H14BrN3O2S2
Molecular Weight424.35 g/mol
Exact Mass422.97
IUPAC Name5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cnc3n2CCC3)c1)c1ccc(Br)s1
InChIInChI=1S/C16H14BrN3O2S2/c17-14-6-7-16(23-14)24(21,22)19-12-4-1-3-11(9-12)13-10-18-15-5-2-8-20(13)15/h1,3-4,6-7,9-10,19H,2,5,8H2
InChIKeyXFKJKDXYUYLADM-UHFFFAOYSA-N
XLogP4.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzenesulfonamide
CID 90557039
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 90557048
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 90557042
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide
CID 90557087
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide
CID 71797953
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3,4-dimethylphenyl)urea
CID 90557012
4-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]benzenesulfonamide
CID 24663006
2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide
CID 90556927
5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-methylbenzenesulfonamide
CID 24663048
5-bromo-N-(6-phenyl-3-pyridinyl)thiophene-2-sulfonamide
CID 110634801
3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide
CID 90556846
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90557396

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide (CID 90557084) is 5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(-c2cnc3n2CCC3)c1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is XFKJKDXYUYLADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2S2/c17-14-6-7-16(23-14)24(21,22)19-12-4-1-3-11(9-12)13-10-18-15-5-2-8-20(13)15/h1,3-4,6-7,9-10,19H,2,5,8H2.
What are the key properties of 5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide?
5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 424.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 90557084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).