9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine

C20H21BrN2O2S — CID 71449795

IUPAC9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
SMILESCN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2Br)C1
InChIInChI=1S/C20H21BrN2O2S/c1-22(2)14-11-12-19-16(13-14)15-7-3-5-9-18(15)23(19)26(24,25)20-10-6-4-8-17(20)21/h3-10,14H,11-13H2,1-2H3
InChIKeyGLYCYIJDJBGWSR-UHFFFAOYSA-N
MW433.37 g/mol
LogP4.06
Rot. Bonds3

About 9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine

9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine (PubChem CID 71449795) has the molecular formula C20H21BrN2O2S and a molecular weight of 433.37 g/mol. Its IUPAC name is 9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine.

Molecular Properties

Compound Name9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
PubChem CID71449795
Molecular FormulaC20H21BrN2O2S
Molecular Weight433.37 g/mol
Exact Mass432.05
IUPAC Name9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
SMILESCN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2Br)C1
InChIInChI=1S/C20H21BrN2O2S/c1-22(2)14-11-12-19-16(13-14)15-7-3-5-9-18(15)23(19)26(24,25)20-10-6-4-8-17(20)21/h3-10,14H,11-13H2,1-2H3
InChIKeyGLYCYIJDJBGWSR-UHFFFAOYSA-N
XLogP4.06
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The IUPAC name of 9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine (CID 71449795) is 9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine.
What is the SMILES notation for 9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The canonical SMILES for 9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine is CN(C)C1CCc2c(c3ccccc3n2S(=O)(=O)c2ccccc2Br)C1.
What is the InChIKey of 9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The InChIKey is GLYCYIJDJBGWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2S/c1-22(2)14-11-12-19-16(13-14)15-7-3-5-9-18(15)23(19)26(24,25)20-10-6-4-8-17(20)21/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine has a molecular weight of 433.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine is sourced from PubChem (CID 71449795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).