4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide

C22H21N3O3S — CID 141288623

IUPAC4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cccc3cc(Nc4ccc(OC)cc4)[nH]c23)cc1
InChIInChI=1S/C22H21N3O3S/c1-23-29(26,27)19-12-6-15(7-13-19)20-5-3-4-16-14-21(25-22(16)20)24-17-8-10-18(28-2)11-9-17/h3-14,23-25H,1-2H3
InChIKeyYHBVXGHMFSCHSN-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.50
Rot. Bonds6

About 4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide

4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide (PubChem CID 141288623) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide
PubChem CID141288623
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cccc3cc(Nc4ccc(OC)cc4)[nH]c23)cc1
InChIInChI=1S/C22H21N3O3S/c1-23-29(26,27)19-12-6-15(7-13-19)20-5-3-4-16-14-21(25-22(16)20)24-17-8-10-18(28-2)11-9-17/h3-14,23-25H,1-2H3
InChIKeyYHBVXGHMFSCHSN-UHFFFAOYSA-N
XLogP4.50
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide (CID 141288623) is 4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cccc3cc(Nc4ccc(OC)cc4)[nH]c23)cc1.
What is the InChIKey of 4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide?
The InChIKey is YHBVXGHMFSCHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-23-29(26,27)19-12-6-15(7-13-19)20-5-3-4-16-14-21(25-22(16)20)24-17-8-10-18(28-2)11-9-17/h3-14,23-25H,1-2H3.
What are the key properties of 4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide?
4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide has a molecular weight of 407.50 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyanilino)-1H-indol-7-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 141288623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).