4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide

C21H18N2O3S — CID 10429739

IUPAC4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H18N2O3S/c1-26-16-10-6-14(7-11-16)20-18-4-2-3-5-19(18)23-21(20)15-8-12-17(13-9-15)27(22,24)25/h2-13,23H,1H3,(H2,22,24,25)
InChIKeyXUIMZWHJUVXRFX-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.16
Rot. Bonds4

About 4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide

4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide (PubChem CID 10429739) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide
PubChem CID10429739
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H18N2O3S/c1-26-16-10-6-14(7-11-16)20-18-4-2-3-5-19(18)23-21(20)15-8-12-17(13-9-15)27(22,24)25/h2-13,23H,1H3,(H2,22,24,25)
InChIKeyXUIMZWHJUVXRFX-UHFFFAOYSA-N
XLogP4.16
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide (CID 10429739) is 4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide is COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide?
The InChIKey is XUIMZWHJUVXRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-26-16-10-6-14(7-11-16)20-18-4-2-3-5-19(18)23-21(20)15-8-12-17(13-9-15)27(22,24)25/h2-13,23H,1H3,(H2,22,24,25).
What are the key properties of 4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide?
4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide is sourced from PubChem (CID 10429739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).