4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide

C21H21Cl2N3O2S — CID 56945042

IUPAC4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21Cl2N3O2S/c22-16-1-4-18(5-2-16)29(27,28)25-9-12-26-10-7-15(8-11-26)20-14-24-21-6-3-17(23)13-19(20)21/h1-7,13-14,24-25H,8-12H2
InChIKeyIGATXMWTNQVGPI-UHFFFAOYSA-N
MW450.39 g/mol
LogP4.54
Rot. Bonds6

About 4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide

4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide (PubChem CID 56945042) has the molecular formula C21H21Cl2N3O2S and a molecular weight of 450.39 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide
PubChem CID56945042
Molecular FormulaC21H21Cl2N3O2S
Molecular Weight450.39 g/mol
Exact Mass449.07
IUPAC Name4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21Cl2N3O2S/c22-16-1-4-18(5-2-16)29(27,28)25-9-12-26-10-7-15(8-11-26)20-14-24-21-6-3-17(23)13-19(20)21/h1-7,13-14,24-25H,8-12H2
InChIKeyIGATXMWTNQVGPI-UHFFFAOYSA-N
XLogP4.54
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.39
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide (CID 56945042) is 4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is IGATXMWTNQVGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2S/c22-16-1-4-18(5-2-16)29(27,28)25-9-12-26-10-7-15(8-11-26)20-14-24-21-6-3-17(23)13-19(20)21/h1-7,13-14,24-25H,8-12H2.
What are the key properties of 4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide?
4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 450.39 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 56945042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).