N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide

C16H16ClN3O2S — CID 175807888

IUPACN-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1Cl
InChIInChI=1S/C16H16ClN3O2S/c1-2-9-23(21,22)20-15-4-3-11(10-14(15)17)12-5-7-18-16-13(12)6-8-19-16/h3-8,10,20H,2,9H2,1H3,(H,18,19)
InChIKeyOGOKFECFHWWCBV-UHFFFAOYSA-N
MW349.84 g/mol
LogP4.03
Rot. Bonds5

About N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide

N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide (PubChem CID 175807888) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide
PubChem CID175807888
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC NameN-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1Cl
InChIInChI=1S/C16H16ClN3O2S/c1-2-9-23(21,22)20-15-4-3-11(10-14(15)17)12-5-7-18-16-13(12)6-8-19-16/h3-8,10,20H,2,9H2,1H3,(H,18,19)
InChIKeyOGOKFECFHWWCBV-UHFFFAOYSA-N
XLogP4.03
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide (CID 175807888) is N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide?
The InChIKey is OGOKFECFHWWCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-2-9-23(21,22)20-15-4-3-11(10-14(15)17)12-5-7-18-16-13(12)6-8-19-16/h3-8,10,20H,2,9H2,1H3,(H,18,19).
What are the key properties of N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide?
N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide has a molecular weight of 349.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 175807888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).