9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride

C20H22ClFN2O2S — CID 73348100

IUPAC9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride
SMILESCN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C20H21FN2O2S.ClH/c1-22(2)15-9-12-20-18(13-15)17-5-3-4-6-19(17)23(20)26(24,25)16-10-7-14(21)8-11-16;/h3-8,10-11,15H,9,12-13H2,1-2H3;1H
InChIKeyGRXTUJMMYJIGHL-UHFFFAOYSA-N
MW408.93 g/mol
LogP3.86
Rot. Bonds3

About 9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride

9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride (PubChem CID 73348100) has the molecular formula C20H22ClFN2O2S and a molecular weight of 408.93 g/mol. Its IUPAC name is 9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride.

Molecular Properties

Compound Name9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride
PubChem CID73348100
Molecular FormulaC20H22ClFN2O2S
Molecular Weight408.93 g/mol
Exact Mass408.11
IUPAC Name9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride
SMILESCN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C20H21FN2O2S.ClH/c1-22(2)15-9-12-20-18(13-15)17-5-3-4-6-19(17)23(20)26(24,25)16-10-7-14(21)8-11-16;/h3-8,10-11,15H,9,12-13H2,1-2H3;1H
InChIKeyGRXTUJMMYJIGHL-UHFFFAOYSA-N
XLogP3.86
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride?
The IUPAC name of 9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride (CID 73348100) is 9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride.
What is the SMILES notation for 9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride?
The canonical SMILES for 9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride is CN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccc(F)cc2)C1.Cl.
What is the InChIKey of 9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride?
The InChIKey is GRXTUJMMYJIGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S.ClH/c1-22(2)15-9-12-20-18(13-15)17-5-3-4-6-19(17)23(20)26(24,25)16-10-7-14(21)8-11-16;/h3-8,10-11,15H,9,12-13H2,1-2H3;1H.
What are the key properties of 9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride?
9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride is sourced from PubChem (CID 73348100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).