1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide

C14H17N5O2S — CID 167861474

IUPAC1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCCc2c[nH]c3cccnc23)cn1C
InChIInChI=1S/C14H17N5O2S/c1-10-18-13(9-19(10)2)22(20,21)17-7-5-11-8-16-12-4-3-6-15-14(11)12/h3-4,6,8-9,16-17H,5,7H2,1-2H3
InChIKeyJXNMYUCEYLVGSH-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.13
Rot. Bonds5

About 1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 167861474) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide
PubChem CID167861474
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCCc2c[nH]c3cccnc23)cn1C
InChIInChI=1S/C14H17N5O2S/c1-10-18-13(9-19(10)2)22(20,21)17-7-5-11-8-16-12-4-3-6-15-14(11)12/h3-4,6,8-9,16-17H,5,7H2,1-2H3
InChIKeyJXNMYUCEYLVGSH-UHFFFAOYSA-N
XLogP1.13
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide (CID 167861474) is 1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCCc2c[nH]c3cccnc23)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is JXNMYUCEYLVGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-10-18-13(9-19(10)2)22(20,21)17-7-5-11-8-16-12-4-3-6-15-14(11)12/h3-4,6,8-9,16-17H,5,7H2,1-2H3.
What are the key properties of 1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 319.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 167861474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).