5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide

C23H26ClN3O2S2 — CID 25205416

IUPAC5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide
SMILESCCN(CC)CCc1c[nH]c2c(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cccc12
InChIInChI=1S/C23H26ClN3O2S2/c1-4-27(5-2)12-11-16-14-25-22-18(16)7-6-8-20(22)26-31(28,29)23-15(3)19-13-17(24)9-10-21(19)30-23/h6-10,13-14,25-26H,4-5,11-12H2,1-3H3
InChIKeyJTNHJWHNWQVDBX-UHFFFAOYSA-N
MW476.07 g/mol
LogP6.03
Rot. Bonds8

About 5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide

5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide (PubChem CID 25205416) has the molecular formula C23H26ClN3O2S2 and a molecular weight of 476.07 g/mol. Its IUPAC name is 5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide
PubChem CID25205416
Molecular FormulaC23H26ClN3O2S2
Molecular Weight476.07 g/mol
Exact Mass475.12
IUPAC Name5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide
SMILESCCN(CC)CCc1c[nH]c2c(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cccc12
InChIInChI=1S/C23H26ClN3O2S2/c1-4-27(5-2)12-11-16-14-25-22-18(16)7-6-8-20(22)26-31(28,29)23-15(3)19-13-17(24)9-10-21(19)30-23/h6-10,13-14,25-26H,4-5,11-12H2,1-3H3
InChIKeyJTNHJWHNWQVDBX-UHFFFAOYSA-N
XLogP6.03
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.07
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide (CID 25205416) is 5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide is CCN(CC)CCc1c[nH]c2c(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cccc12.
What is the InChIKey of 5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide?
The InChIKey is JTNHJWHNWQVDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2S2/c1-4-27(5-2)12-11-16-14-25-22-18(16)7-6-8-20(22)26-31(28,29)23-15(3)19-13-17(24)9-10-21(19)30-23/h6-10,13-14,25-26H,4-5,11-12H2,1-3H3.
What are the key properties of 5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide?
5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide has a molecular weight of 476.07 g/mol, XLogP of 6.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[2-(diethylamino)ethyl]-1H-indol-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 25205416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).