ethyl 9H-carbazol-1-ylmethanesulfonate

C15H15NO3S — CID 174896621

IUPACethyl 9H-carbazol-1-ylmethanesulfonate
SMILESCCOS(=O)(=O)Cc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C15H15NO3S/c1-2-19-20(17,18)10-11-6-5-8-13-12-7-3-4-9-14(12)16-15(11)13/h3-9,16H,2,10H2,1H3
InChIKeyCKPSATJWPSCWHO-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.19
Rot. Bonds4

About ethyl 9H-carbazol-1-ylmethanesulfonate

ethyl 9H-carbazol-1-ylmethanesulfonate (PubChem CID 174896621) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is ethyl 9H-carbazol-1-ylmethanesulfonate.

Molecular Properties

Compound Nameethyl 9H-carbazol-1-ylmethanesulfonate
PubChem CID174896621
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Nameethyl 9H-carbazol-1-ylmethanesulfonate
SMILESCCOS(=O)(=O)Cc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C15H15NO3S/c1-2-19-20(17,18)10-11-6-5-8-13-12-7-3-4-9-14(12)16-15(11)13/h3-9,16H,2,10H2,1H3
InChIKeyCKPSATJWPSCWHO-UHFFFAOYSA-N
XLogP3.19
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze ethyl 9H-carbazol-1-ylmethanesulfonate 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

9H-carbazol-1-ylmethanol
CID 10987211
1-nonyl-9H-carbazole
CID 66872642
1-butyl-9H-carbazole;phosphane;hydrate
CID 174715058
ethyl [2-(trifluoromethyl)phenyl]methanesulfonate
CID 159838378
5-(9H-carbazol-1-yl)pentane-2,3-dione
CID 142696076
1-benzylsulfonyl-9H-carbazole
CID 140983404
1-(2-ethoxyphenyl)-9H-carbazole
CID 175136892
9H-carbazole-1-sulfonamide
CID 18617392
1-but-3-ynyl-9H-carbazole
CID 173036439
bis(9H-carbazole);propane
CID 90987002
2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol
CID 164577577
9H-carbazole;ethanol;methanesulfonic acid
CID 174896622

Frequently Asked Questions

What is the IUPAC name of ethyl 9H-carbazol-1-ylmethanesulfonate?
The IUPAC name of ethyl 9H-carbazol-1-ylmethanesulfonate (CID 174896621) is ethyl 9H-carbazol-1-ylmethanesulfonate.
What is the SMILES notation for ethyl 9H-carbazol-1-ylmethanesulfonate?
The canonical SMILES for ethyl 9H-carbazol-1-ylmethanesulfonate is CCOS(=O)(=O)Cc1cccc2c1[nH]c1ccccc12.
What is the InChIKey of ethyl 9H-carbazol-1-ylmethanesulfonate?
The InChIKey is CKPSATJWPSCWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-19-20(17,18)10-11-6-5-8-13-12-7-3-4-9-14(12)16-15(11)13/h3-9,16H,2,10H2,1H3.
What are the key properties of ethyl 9H-carbazol-1-ylmethanesulfonate?
ethyl 9H-carbazol-1-ylmethanesulfonate has a molecular weight of 289.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9H-carbazol-1-ylmethanesulfonate is sourced from PubChem (CID 174896621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).