N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide

C24H23BrN2O2S — CID 1122706

IUPACN-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide
SMILESCc1c(CCNS(=O)(=O)c2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H23BrN2O2S/c1-18-22(15-16-26-30(28,29)21-13-11-20(25)12-14-21)23-9-5-6-10-24(23)27(18)17-19-7-3-2-4-8-19/h2-14,26H,15-17H2,1H3
InChIKeyLJTLAWIDKUSPLD-UHFFFAOYSA-N
MW483.43 g/mol
LogP5.28
Rot. Bonds7

About N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide

N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide (PubChem CID 1122706) has the molecular formula C24H23BrN2O2S and a molecular weight of 483.43 g/mol. Its IUPAC name is N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide
PubChem CID1122706
Molecular FormulaC24H23BrN2O2S
Molecular Weight483.43 g/mol
Exact Mass482.07
IUPAC NameN-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide
SMILESCc1c(CCNS(=O)(=O)c2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H23BrN2O2S/c1-18-22(15-16-26-30(28,29)21-13-11-20(25)12-14-21)23-9-5-6-10-24(23)27(18)17-19-7-3-2-4-8-19/h2-14,26H,15-17H2,1H3
InChIKeyLJTLAWIDKUSPLD-UHFFFAOYSA-N
XLogP5.28
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide?
The IUPAC name of N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide (CID 1122706) is N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide.
What is the SMILES notation for N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide?
The canonical SMILES for N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide is Cc1c(CCNS(=O)(=O)c2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide?
The InChIKey is LJTLAWIDKUSPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O2S/c1-18-22(15-16-26-30(28,29)21-13-11-20(25)12-14-21)23-9-5-6-10-24(23)27(18)17-19-7-3-2-4-8-19/h2-14,26H,15-17H2,1H3.
What are the key properties of N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide?
N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide has a molecular weight of 483.43 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide is sourced from PubChem (CID 1122706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).