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

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Related Compounds

(2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol
CID 118246559
N-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]benzenesulfonamide
CID 1098867
(2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol
CID 6976995
3-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]sulfonylphenol
CID 58065861
tert-butyl-[5-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfonylphenoxy]pentyl]carbamic acid
CID 118062625
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol
CID 52916664
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2851937
4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
CID 69284445
3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propanoic acid
CID 166554678
1-[(3-anilinooxiran-2-yl)amino]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 123265105
N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide
CID 46851716

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).