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

C18H20ClN3O2S — CID 53174225

IUPAC1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCCCn1cc(S(=O)(=O)NCc2cccc(Cl)c2)c2cccnc21
InChIInChI=1S/C18H20ClN3O2S/c1-2-3-10-22-13-17(16-8-5-9-20-18(16)22)25(23,24)21-12-14-6-4-7-15(19)11-14/h4-9,11,13,21H,2-3,10,12H2,1H3
InChIKeyUTPLUFOBAGSWBH-UHFFFAOYSA-N
MW377.90 g/mol
LogP3.97
Rot. Bonds7

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

1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53174225) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound Name1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53174225
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCCCn1cc(S(=O)(=O)NCc2cccc(Cl)c2)c2cccnc21
InChIInChI=1S/C18H20ClN3O2S/c1-2-3-10-22-13-17(16-8-5-9-20-18(16)22)25(23,24)21-12-14-6-4-7-15(19)11-14/h4-9,11,13,21H,2-3,10,12H2,1H3
InChIKeyUTPLUFOBAGSWBH-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174219
N-benzyl-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174002
1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174135
N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62532935
N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53040471
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 61109676
N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174112
N-[(3-chlorophenyl)methyl]propane-1-sulfonamide
CID 47105679
N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174129
N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174152
3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 156599916
4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328289

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of 1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53174225) is 1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for 1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for 1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide is CCCCn1cc(S(=O)(=O)NCc2cccc(Cl)c2)c2cccnc21.
What is the InChIKey of 1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is UTPLUFOBAGSWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-2-3-10-22-13-17(16-8-5-9-20-18(16)22)25(23,24)21-12-14-6-4-7-15(19)11-14/h4-9,11,13,21H,2-3,10,12H2,1H3.
What are the key properties of 1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide?
1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 377.90 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53174225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).