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

C23H23NO3S — CID 118246559

IUPAC(2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2C[C@H](O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-16-8-10-22-20(12-16)21-13-17(2)9-11-23(21)24(22)14-18(25)15-28(26,27)19-6-4-3-5-7-19/h3-13,18,25H,14-15H2,1-2H3/t18-/m0/s1
InChIKeyHGXWMBYRLAWPMY-SFHVURJKSA-N
MW393.51 g/mol
LogP4.25
Rot. Bonds5

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

(2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol (PubChem CID 118246559) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol
PubChem CID118246559
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name(2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2C[C@H](O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-16-8-10-22-20(12-16)21-13-17(2)9-11-23(21)24(22)14-18(25)15-28(26,27)19-6-4-3-5-7-19/h3-13,18,25H,14-15H2,1-2H3/t18-/m0/s1
InChIKeyHGXWMBYRLAWPMY-SFHVURJKSA-N
XLogP4.25
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol?
The IUPAC name of (2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol (CID 118246559) is (2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol is Cc1ccc2c(c1)c1cc(C)ccc1n2C[C@H](O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol?
The InChIKey is HGXWMBYRLAWPMY-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-16-8-10-22-20(12-16)21-13-17(2)9-11-23(21)24(22)14-18(25)15-28(26,27)19-6-4-3-5-7-19/h3-13,18,25H,14-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol?
(2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol has a molecular weight of 393.51 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-3-(3,6-dimethylcarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 118246559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).