4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide

C22H20ClN3O2S — CID 122425596

IUPAC4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cn(Cc2cccnc2)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O2S/c23-19-7-9-20(10-8-19)29(27,28)25-13-11-18-16-26(15-17-4-3-12-24-14-17)22-6-2-1-5-21(18)22/h1-10,12,14,16,25H,11,13,15H2
InChIKeySCHTVCFZORDCMF-UHFFFAOYSA-N
MW425.94 g/mol
LogP4.26
Rot. Bonds7

About 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide

4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide (PubChem CID 122425596) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide
PubChem CID122425596
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC Name4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cn(Cc2cccnc2)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O2S/c23-19-7-9-20(10-8-19)29(27,28)25-13-11-18-16-26(15-17-4-3-12-24-14-17)22-6-2-1-5-21(18)22/h1-10,12,14,16,25H,11,13,15H2
InChIKeySCHTVCFZORDCMF-UHFFFAOYSA-N
XLogP4.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide
CID 139709183
4-chloro-N-[2-[3-(2-hydroxyethyl)indol-1-yl]ethyl]benzenesulfonamide
CID 91149671
4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144823
3-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(pyridin-3-ylmethyl)pyrrol-2-yl]prop-2-enoic acid
CID 139709186
4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083934
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 124783741
2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970
3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083935
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(3-pyridin-3-ylpropyl)pyrrol-2-yl]-2-methylpropanoic acid
CID 139687194
4-chloro-N-[2-[4-[(E)-N-hydroxy-C-pyridin-3-ylcarbonimidoyl]phenyl]ethyl]benzenesulfonamide
CID 10364563

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide (CID 122425596) is 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1cn(Cc2cccnc2)c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide?
The InChIKey is SCHTVCFZORDCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c23-19-7-9-20(10-8-19)29(27,28)25-13-11-18-16-26(15-17-4-3-12-24-14-17)22-6-2-1-5-21(18)22/h1-10,12,14,16,25H,11,13,15H2.
What are the key properties of 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide?
4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide has a molecular weight of 425.94 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 122425596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).