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

C25H30ClN3O2S2 — CID 10278839

IUPAC5-chloro-N-[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(CCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
InChIInChI=1S/C25H30ClN3O2S2/c1-4-11-29(12-5-2)13-10-18-16-27-23-8-7-20(15-22(18)23)28-33(30,31)25-17(3)21-14-19(26)6-9-24(21)32-25/h6-9,14-16,27-28H,4-5,10-13H2,1-3H3
InChIKeyWSSVKAAIGVWZQY-UHFFFAOYSA-N
MW504.12 g/mol
LogP6.81
Rot. Bonds10

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

5-chloro-N-[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide (PubChem CID 10278839) has the molecular formula C25H30ClN3O2S2 and a molecular weight of 504.12 g/mol. Its IUPAC name is 5-chloro-N-[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide
PubChem CID10278839
Molecular FormulaC25H30ClN3O2S2
Molecular Weight504.12 g/mol
Exact Mass503.15
IUPAC Name5-chloro-N-[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(CCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
InChIInChI=1S/C25H30ClN3O2S2/c1-4-11-29(12-5-2)13-10-18-16-27-23-8-7-20(15-22(18)23)28-33(30,31)25-17(3)21-14-19(26)6-9-24(21)32-25/h6-9,14-16,27-28H,4-5,10-13H2,1-3H3
InChIKeyWSSVKAAIGVWZQY-UHFFFAOYSA-N
XLogP6.81
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.12
LogP ≤ 56.81
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-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide (CID 10278839) is 5-chloro-N-[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide is CCCN(CCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12.
What is the InChIKey of 5-chloro-N-[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide?
The InChIKey is WSSVKAAIGVWZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2S2/c1-4-11-29(12-5-2)13-10-18-16-27-23-8-7-20(15-22(18)23)28-33(30,31)25-17(3)21-14-19(26)6-9-24(21)32-25/h6-9,14-16,27-28H,4-5,10-13H2,1-3H3.
What are the key properties of 5-chloro-N-[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide?
5-chloro-N-[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide has a molecular weight of 504.12 g/mol, XLogP of 6.81, 10 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-(dipropylamino)ethyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 10278839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).