1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide

C20H24ClN3O2S — CID 53144929

IUPAC1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
SMILESCC(C)Cn1cc(CCNS(=O)(=O)Cc2ccc(Cl)cc2)c2cccnc21
InChIInChI=1S/C20H24ClN3O2S/c1-15(2)12-24-13-17(19-4-3-10-22-20(19)24)9-11-23-27(25,26)14-16-5-7-18(21)8-6-16/h3-8,10,13,15,23H,9,11-12,14H2,1-2H3
InChIKeyNFMSQXGHAOTOLM-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.01
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide (PubChem CID 53144929) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
PubChem CID53144929
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC Name1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
SMILESCC(C)Cn1cc(CCNS(=O)(=O)Cc2ccc(Cl)cc2)c2cccnc21
InChIInChI=1S/C20H24ClN3O2S/c1-15(2)12-24-13-17(19-4-3-10-22-20(19)24)9-11-23-27(25,26)14-16-5-7-18(21)8-6-16/h3-8,10,13,15,23H,9,11-12,14H2,1-2H3
InChIKeyNFMSQXGHAOTOLM-UHFFFAOYSA-N
XLogP4.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide (CID 53144929) is 1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide is CC(C)Cn1cc(CCNS(=O)(=O)Cc2ccc(Cl)cc2)c2cccnc21.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide?
The InChIKey is NFMSQXGHAOTOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-15(2)12-24-13-17(19-4-3-10-22-20(19)24)9-11-23-27(25,26)14-16-5-7-18(21)8-6-16/h3-8,10,13,15,23H,9,11-12,14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide has a molecular weight of 405.95 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 53144929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).