N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide

C16H17ClN4O2S — CID 59578413

IUPACN-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cncc(-c2cc3cnc(Cl)cc3n2C)c1
InChIInChI=1S/C16H17ClN4O2S/c1-3-24(22,23)20-8-11-4-12(9-18-7-11)14-5-13-10-19-16(17)6-15(13)21(14)2/h4-7,9-10,20H,3,8H2,1-2H3
InChIKeyXCNJEZSMUUVBPP-UHFFFAOYSA-N
MW364.86 g/mol
LogP2.73
Rot. Bonds5

About N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide

N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide (PubChem CID 59578413) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
PubChem CID59578413
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC NameN-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cncc(-c2cc3cnc(Cl)cc3n2C)c1
InChIInChI=1S/C16H17ClN4O2S/c1-3-24(22,23)20-8-11-4-12(9-18-7-11)14-5-13-10-19-16(17)6-15(13)21(14)2/h4-7,9-10,20H,3,8H2,1-2H3
InChIKeyXCNJEZSMUUVBPP-UHFFFAOYSA-N
XLogP2.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(3-Chlorophenyl)sulfonyl-3-methyl-4-piperazin-1-ylindole
CID 44403304
1-[5-(2-chloro-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 25002634
ethanesulfonic acid [5-(6-chloro-1-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-pyridin-3-ylmethyl]-amide
CID 49820901
N-[5-(6-chloro-3-cyano-1-methyl-1H-indol-2-yl)-pyridin-3-ylmethyl]-ethanesulfonamide
CID 58215635
N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
CID 58215744
ethanesulfonic acid [5-(6-chloro-3-cyano-1-methyl-1H-indol-2-yl)-pyridin-3-yl]-amide
CID 58215794
6-(6-chloro-3-cyano-1-cyclobutyl-pyrrolo[3,2-b]pyridin-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66735075
N-(1-(3-(4-chlorophenyl)pentan-3-yl)-1H-indol-4-yl)methanesulfonamide
CID 70561849
6-(6-chloro-3-cyano-1-cyclobutyl-pyrrolo[3,2-c]pyridin-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 118725860
(Z)-5-(1-(4-amino-2-fluorobut-2-en-1-yl)-4-chloro-2-methyl-1H-indol-3-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 130302604
(Z)-5-(1-(4-amino-2-fluorobut-2-en-1-yl)-5-chloro-2-methyl-1H-indol-3-yl)pyridine-3-sulfonamide
CID 130302607
(Z)-5-(1-(4-amino-2-fluorobut-2-en-l-yl)-6-chloro-2-methyl-1H-indol-3-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 130302614

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide (CID 59578413) is N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cncc(-c2cc3cnc(Cl)cc3n2C)c1.
What is the InChIKey of N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The InChIKey is XCNJEZSMUUVBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)20-8-11-4-12(9-18-7-11)14-5-13-10-19-16(17)6-15(13)21(14)2/h4-7,9-10,20H,3,8H2,1-2H3.
What are the key properties of N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide has a molecular weight of 364.86 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide is sourced from PubChem (CID 59578413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).