N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide

C20H21N3O3S — CID 66646587

IUPACN-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide
SMILESCc1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)C4CCCC4)c3)c2c1
InChIInChI=1S/C20H21N3O3S/c1-13-9-17-18(12-22-20(17)21-11-13)19(24)14-5-4-6-15(10-14)23-27(25,26)16-7-2-3-8-16/h4-6,9-12,16,23H,2-3,7-8H2,1H3,(H,21,22)
InChIKeyJFSGXLRULZBTLV-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.79
Rot. Bonds5

About N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide

N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide (PubChem CID 66646587) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide
PubChem CID66646587
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide
SMILESCc1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)C4CCCC4)c3)c2c1
InChIInChI=1S/C20H21N3O3S/c1-13-9-17-18(12-22-20(17)21-11-13)19(24)14-5-4-6-15(10-14)23-27(25,26)16-7-2-3-8-16/h4-6,9-12,16,23H,2-3,7-8H2,1H3,(H,21,22)
InChIKeyJFSGXLRULZBTLV-UHFFFAOYSA-N
XLogP3.79
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-[5-[3-(methanesulfinamido)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]cyclohexanesulfonamide;hydrate
CID 160994096
N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 58086157
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide
CID 66646625
N-[3-[5-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyridine-3-sulfonamide
CID 66646848
2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
CID 68752286
3-[3-[3-[2-(cyclopentylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propanoic acid
CID 66646875
methyl (Z)-3-[3-[3-[3-(methanesulfonamido)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoate
CID 134454192
3-(cyclopentylsulfonylamino)benzenecarbothioamide
CID 105361104
N-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 11189486
N-[2,4-difluoro-3-(5-isocyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclohexanesulfonamide
CID 88580347
N-[3-[5-(1-amino-3-methyliminoprop-1-en-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 162588048
4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
CID 68753226

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide?
The IUPAC name of N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide (CID 66646587) is N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide is Cc1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)C4CCCC4)c3)c2c1.
What is the InChIKey of N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide?
The InChIKey is JFSGXLRULZBTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-9-17-18(12-22-20(17)21-11-13)19(24)14-5-4-6-15(10-14)23-27(25,26)16-7-2-3-8-16/h4-6,9-12,16,23H,2-3,7-8H2,1H3,(H,21,22).
What are the key properties of N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide?
N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide is sourced from PubChem (CID 66646587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).