6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine

C20H19BrF2N2O2S — CID 71462331

IUPAC6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
SMILESCN(C)C1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C20H19BrF2N2O2S/c1-24(2)13-4-8-20-16(10-13)15-9-12(21)3-7-19(15)25(20)28(26,27)14-5-6-17(22)18(23)11-14/h3,5-7,9,11,13H,4,8,10H2,1-2H3
InChIKeyJODBXTNODWFPKS-UHFFFAOYSA-N
MW469.35 g/mol
LogP4.34
Rot. Bonds3

About 6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine

6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine (PubChem CID 71462331) has the molecular formula C20H19BrF2N2O2S and a molecular weight of 469.35 g/mol. Its IUPAC name is 6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine.

Molecular Properties

Compound Name6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
PubChem CID71462331
Molecular FormulaC20H19BrF2N2O2S
Molecular Weight469.35 g/mol
Exact Mass468.03
IUPAC Name6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
SMILESCN(C)C1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C20H19BrF2N2O2S/c1-24(2)13-4-8-20-16(10-13)15-9-12(21)3-7-19(15)25(20)28(26,27)14-5-6-17(22)18(23)11-14/h3,5-7,9,11,13H,4,8,10H2,1-2H3
InChIKeyJODBXTNODWFPKS-UHFFFAOYSA-N
XLogP4.34
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The IUPAC name of 6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine (CID 71462331) is 6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine.
What is the SMILES notation for 6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The canonical SMILES for 6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine is CN(C)C1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The InChIKey is JODBXTNODWFPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF2N2O2S/c1-24(2)13-4-8-20-16(10-13)15-9-12(21)3-7-19(15)25(20)28(26,27)14-5-6-17(22)18(23)11-14/h3,5-7,9,11,13H,4,8,10H2,1-2H3.
What are the key properties of 6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine has a molecular weight of 469.35 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine is sourced from PubChem (CID 71462331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).