N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide

C24H23ClN4O3S — CID 155539873

IUPACN-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
SMILESO=C(CCc1ccc(-c2cnc3[nH]ccc3c2)cc1)NCCNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C24H23ClN4O3S/c25-21-3-1-2-4-22(21)33(31,32)29-14-13-26-23(30)10-7-17-5-8-18(9-6-17)20-15-19-11-12-27-24(19)28-16-20/h1-6,8-9,11-12,15-16,29H,7,10,13-14H2,(H,26,30)(H,27,28)
InChIKeyHJIGRYRQSJAQDV-UHFFFAOYSA-N
MW482.99 g/mol
LogP3.91
Rot. Bonds9

About N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide

N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide (PubChem CID 155539873) has the molecular formula C24H23ClN4O3S and a molecular weight of 482.99 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
PubChem CID155539873
Molecular FormulaC24H23ClN4O3S
Molecular Weight482.99 g/mol
Exact Mass482.12
IUPAC NameN-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
SMILESO=C(CCc1ccc(-c2cnc3[nH]ccc3c2)cc1)NCCNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C24H23ClN4O3S/c25-21-3-1-2-4-22(21)33(31,32)29-14-13-26-23(30)10-7-17-5-8-18(9-6-17)20-15-19-11-12-27-24(19)28-16-20/h1-6,8-9,11-12,15-16,29H,7,10,13-14H2,(H,26,30)(H,27,28)
InChIKeyHJIGRYRQSJAQDV-UHFFFAOYSA-N
XLogP3.91
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide?
The IUPAC name of N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide (CID 155539873) is N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide is O=C(CCc1ccc(-c2cnc3[nH]ccc3c2)cc1)NCCNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide?
The InChIKey is HJIGRYRQSJAQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3S/c25-21-3-1-2-4-22(21)33(31,32)29-14-13-26-23(30)10-7-17-5-8-18(9-6-17)20-15-19-11-12-27-24(19)28-16-20/h1-6,8-9,11-12,15-16,29H,7,10,13-14H2,(H,26,30)(H,27,28).
What are the key properties of N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide?
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide has a molecular weight of 482.99 g/mol, XLogP of 3.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide is sourced from PubChem (CID 155539873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).