5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide

C23H24ClN3O2S2 — CID 10162467

IUPAC5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3c2)sc2ccc(Cl)cc12
InChIInChI=1S/C23H24ClN3O2S2/c1-14-18-11-16(24)3-6-22(18)30-23(14)31(28,29)26-17-4-5-21-19(12-17)20(13-25-21)15-7-9-27(2)10-8-15/h3-6,11-13,15,25-26H,7-10H2,1-2H3
InChIKeyXQIZCPRJWQBHCO-UHFFFAOYSA-N
MW474.05 g/mol
LogP5.95
Rot. Bonds4

About 5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide

5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide (PubChem CID 10162467) has the molecular formula C23H24ClN3O2S2 and a molecular weight of 474.05 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide
PubChem CID10162467
Molecular FormulaC23H24ClN3O2S2
Molecular Weight474.05 g/mol
Exact Mass473.10
IUPAC Name5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3c2)sc2ccc(Cl)cc12
InChIInChI=1S/C23H24ClN3O2S2/c1-14-18-11-16(24)3-6-22(18)30-23(14)31(28,29)26-17-4-5-21-19(12-17)20(13-25-21)15-7-9-27(2)10-8-15/h3-6,11-13,15,25-26H,7-10H2,1-2H3
InChIKeyXQIZCPRJWQBHCO-UHFFFAOYSA-N
XLogP5.95
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.05
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9891002
5-chloro-3-methyl-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1-benzothiophene-2-sulfonamide
CID 9891618
5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(2-diethylamino-ethyl)-1H-indol-5-yl]-amide
CID 9956634
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CID 10182243
5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(2-dipropylamino-ethyl)-1H-indol-5-yl]-amide
CID 10278839
Thiophene sulfonyltryptamine, 11m
CID 23655468
Thiophene sulfonyltryptamine, 11o
CID 23655664
2-chloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11200511
3-chloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11384146
3,4-dichloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11419238
3-chloro-N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11463428
1-(5-Chloro-thiophene-2-sulfonyl)-3-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole
CID 44403044

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide (CID 10162467) is 5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3c2)sc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide?
The InChIKey is XQIZCPRJWQBHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2S2/c1-14-18-11-16(24)3-6-22(18)30-23(14)31(28,29)26-17-4-5-21-19(12-17)20(13-25-21)15-7-9-27(2)10-8-15/h3-6,11-13,15,25-26H,7-10H2,1-2H3.
What are the key properties of 5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide?
5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide has a molecular weight of 474.05 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 10162467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).