4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide

C18H20ClN3O2S — CID 53144823

IUPAC4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCCCn1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)c2cccnc21
InChIInChI=1S/C18H20ClN3O2S/c1-2-12-22-13-14(17-4-3-10-20-18(17)22)9-11-21-25(23,24)16-7-5-15(19)6-8-16/h3-8,10,13,21H,2,9,11-12H2,1H3
InChIKeyVOQBZDUNEVPGJE-UHFFFAOYSA-N
MW377.90 g/mol
LogP3.62
Rot. Bonds7

About 4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide

4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide (PubChem CID 53144823) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
PubChem CID53144823
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCCCn1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)c2cccnc21
InChIInChI=1S/C18H20ClN3O2S/c1-2-12-22-13-14(17-4-3-10-20-18(17)22)9-11-21-25(23,24)16-7-5-15(19)6-8-16/h3-8,10,13,21H,2,9,11-12H2,1H3
InChIKeyVOQBZDUNEVPGJE-UHFFFAOYSA-N
XLogP3.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trimethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144859
2,3,5,6-tetramethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144876
3-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144908
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138
1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
CID 53144929
N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
CID 53144886
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide
CID 53144756
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide
CID 53144736
4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide
CID 122425596
5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144771
3-fluoro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144909
N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 53144899

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide (CID 53144823) is 4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide is CCCn1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)c2cccnc21.
What is the InChIKey of 4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is VOQBZDUNEVPGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-2-12-22-13-14(17-4-3-10-20-18(17)22)9-11-21-25(23,24)16-7-5-15(19)6-8-16/h3-8,10,13,21H,2,9,11-12H2,1H3.
What are the key properties of 4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 377.90 g/mol, XLogP of 3.62, 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-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 53144823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).