1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

C21H17Br2NO3S — CID 46851558

IUPAC1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESO=S(=O)(CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21)c1ccccc1
InChIInChI=1S/C21H17Br2NO3S/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)24(20)12-16(25)13-28(26,27)17-4-2-1-3-5-17/h1-11,16,25H,12-13H2
InChIKeyOEPQMWPLGZMLLB-UHFFFAOYSA-N
MW523.25 g/mol
LogP5.15
Rot. Bonds5

About 1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (PubChem CID 46851558) has the molecular formula C21H17Br2NO3S and a molecular weight of 523.25 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
PubChem CID46851558
Molecular FormulaC21H17Br2NO3S
Molecular Weight523.25 g/mol
Exact Mass520.93
IUPAC Name1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESO=S(=O)(CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21)c1ccccc1
InChIInChI=1S/C21H17Br2NO3S/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)24(20)12-16(25)13-28(26,27)17-4-2-1-3-5-17/h1-11,16,25H,12-13H2
InChIKeyOEPQMWPLGZMLLB-UHFFFAOYSA-N
XLogP5.15
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.25
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (CID 46851558) is 1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is O=S(=O)(CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The InChIKey is OEPQMWPLGZMLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Br2NO3S/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)24(20)12-16(25)13-28(26,27)17-4-2-1-3-5-17/h1-11,16,25H,12-13H2.
What are the key properties of 1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol has a molecular weight of 523.25 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 46851558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).