N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide

C18H20ClN3O2S — CID 53040471

IUPACN-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)Cn1cc(S(=O)(=O)NCc2ccccc2Cl)c2cccnc21
InChIInChI=1S/C18H20ClN3O2S/c1-13(2)11-22-12-17(15-7-5-9-20-18(15)22)25(23,24)21-10-14-6-3-4-8-16(14)19/h3-9,12-13,21H,10-11H2,1-2H3
InChIKeyREYKBHXPZYUUIV-UHFFFAOYSA-N
MW377.90 g/mol
LogP3.82
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide

N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53040471) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53040471
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)Cn1cc(S(=O)(=O)NCc2ccccc2Cl)c2cccnc21
InChIInChI=1S/C18H20ClN3O2S/c1-13(2)11-22-12-17(15-7-5-9-20-18(15)22)25(23,24)21-10-14-6-3-4-8-16(14)19/h3-9,12-13,21H,10-11H2,1-2H3
InChIKeyREYKBHXPZYUUIV-UHFFFAOYSA-N
XLogP3.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53040471) is N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide is CC(C)Cn1cc(S(=O)(=O)NCc2ccccc2Cl)c2cccnc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is REYKBHXPZYUUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-13(2)11-22-12-17(15-7-5-9-20-18(15)22)25(23,24)21-10-14-6-3-4-8-16(14)19/h3-9,12-13,21H,10-11H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 377.90 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53040471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).