N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide

C16H17N3O2S — CID 24984615

IUPACN-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide
SMILESCc1cc2c(-c3ccc(N(C)S(C)(=O)=O)cc3)ccnc2[nH]1
InChIInChI=1S/C16H17N3O2S/c1-11-10-15-14(8-9-17-16(15)18-11)12-4-6-13(7-5-12)19(2)22(3,20)21/h4-10H,1-3H3,(H,17,18)
InChIKeyJSPASWQZTMOPJA-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.93
Rot. Bonds3

About N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide

N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide (PubChem CID 24984615) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide
PubChem CID24984615
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide
SMILESCc1cc2c(-c3ccc(N(C)S(C)(=O)=O)cc3)ccnc2[nH]1
InChIInChI=1S/C16H17N3O2S/c1-11-10-15-14(8-9-17-16(15)18-11)12-4-6-13(7-5-12)19(2)22(3,20)21/h4-10H,1-3H3,(H,17,18)
InChIKeyJSPASWQZTMOPJA-UHFFFAOYSA-N
XLogP2.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide (CID 24984615) is N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide is Cc1cc2c(-c3ccc(N(C)S(C)(=O)=O)cc3)ccnc2[nH]1.
What is the InChIKey of N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide?
The InChIKey is JSPASWQZTMOPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-10-15-14(8-9-17-16(15)18-11)12-4-6-13(7-5-12)19(2)22(3,20)21/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide?
N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 24984615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).