1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole

C11H9BrFN3O2S — CID 166317142

IUPAC1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole
SMILESO=S(=O)(c1[nH]cnc1Br)N1CCc2cccc(F)c21
InChIInChI=1S/C11H9BrFN3O2S/c12-10-11(15-6-14-10)19(17,18)16-5-4-7-2-1-3-8(13)9(7)16/h1-3,6H,4-5H2,(H,14,15)
InChIKeyOWMPCLWSZBPHJV-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.06
Rot. Bonds2

About 1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole

1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole (PubChem CID 166317142) has the molecular formula C11H9BrFN3O2S and a molecular weight of 346.18 g/mol. Its IUPAC name is 1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole
PubChem CID166317142
Molecular FormulaC11H9BrFN3O2S
Molecular Weight346.18 g/mol
Exact Mass344.96
IUPAC Name1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole
SMILESO=S(=O)(c1[nH]cnc1Br)N1CCc2cccc(F)c21
InChIInChI=1S/C11H9BrFN3O2S/c12-10-11(15-6-14-10)19(17,18)16-5-4-7-2-1-3-8(13)9(7)16/h1-3,6H,4-5H2,(H,14,15)
InChIKeyOWMPCLWSZBPHJV-UHFFFAOYSA-N
XLogP2.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole 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

1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole
CID 75432386
1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline
CID 24656598
6-[(7-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110725206
1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline
CID 24656900
5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid
CID 56797604
1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-7-methyl-2,3-dihydroindole
CID 112846336
4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
CID 24993539
1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine
CID 114456013
methyl 7-fluoro-2,3-dihydroindole-1-carboxylate
CID 110725158
2-[3-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxyphenyl]acetic acid
CID 51125516
4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 134025719
2-bromo-5-(2,3-dihydroindol-1-ylsulfonyl)-4-fluoroaniline
CID 116529391

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole?
The IUPAC name of 1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole (CID 166317142) is 1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole is O=S(=O)(c1[nH]cnc1Br)N1CCc2cccc(F)c21.
What is the InChIKey of 1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole?
The InChIKey is OWMPCLWSZBPHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2S/c12-10-11(15-6-14-10)19(17,18)16-5-4-7-2-1-3-8(13)9(7)16/h1-3,6H,4-5H2,(H,14,15).
What are the key properties of 1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole?
1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole has a molecular weight of 346.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1H-imidazol-5-yl)sulfonyl]-7-fluoro-2,3-dihydroindole is sourced from PubChem (CID 166317142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).