[2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid

C14H13N5O4S — CID 141144442

IUPAC[2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid
SMILESCS(=O)(=O)Nc1cccc(-c2nc3ncc(NC(=O)O)cc3[nH]2)c1
InChIInChI=1S/C14H13N5O4S/c1-24(22,23)19-9-4-2-3-8(5-9)12-17-11-6-10(16-14(20)21)7-15-13(11)18-12/h2-7,16,19H,1H3,(H,20,21)(H,15,17,18)
InChIKeyJQRKYHQCSAJMON-UHFFFAOYSA-N
MW347.36 g/mol
LogP2.09
Rot. Bonds4

About [2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid

[2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid (PubChem CID 141144442) has the molecular formula C14H13N5O4S and a molecular weight of 347.36 g/mol. Its IUPAC name is [2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid.

Molecular Properties

Compound Name[2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid
PubChem CID141144442
Molecular FormulaC14H13N5O4S
Molecular Weight347.36 g/mol
Exact Mass347.07
IUPAC Name[2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid
SMILESCS(=O)(=O)Nc1cccc(-c2nc3ncc(NC(=O)O)cc3[nH]2)c1
InChIInChI=1S/C14H13N5O4S/c1-24(22,23)19-9-4-2-3-8(5-9)12-17-11-6-10(16-14(20)21)7-15-13(11)18-12/h2-7,16,19H,1H3,(H,20,21)(H,15,17,18)
InChIKeyJQRKYHQCSAJMON-UHFFFAOYSA-N
XLogP2.09
TPSA137.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid?
The IUPAC name of [2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid (CID 141144442) is [2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid.
What is the SMILES notation for [2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid?
The canonical SMILES for [2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid is CS(=O)(=O)Nc1cccc(-c2nc3ncc(NC(=O)O)cc3[nH]2)c1.
What is the InChIKey of [2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid?
The InChIKey is JQRKYHQCSAJMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O4S/c1-24(22,23)19-9-4-2-3-8(5-9)12-17-11-6-10(16-14(20)21)7-15-13(11)18-12/h2-7,16,19H,1H3,(H,20,21)(H,15,17,18).
What are the key properties of [2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid?
[2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid has a molecular weight of 347.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methanesulfonamido)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid is sourced from PubChem (CID 141144442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).