3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide

C14H13ClN4O2S — CID 156599916

IUPAC3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
SMILESCn1c(CNS(=O)(=O)c2cccc(Cl)c2)nc2cccnc21
InChIInChI=1S/C14H13ClN4O2S/c1-19-13(18-12-6-3-7-16-14(12)19)9-17-22(20,21)11-5-2-4-10(15)8-11/h2-8,17H,9H2,1H3
InChIKeyKXEPMXQSKAUEHJ-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.10
Rot. Bonds4

About 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide

3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide (PubChem CID 156599916) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
PubChem CID156599916
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
SMILESCn1c(CNS(=O)(=O)c2cccc(Cl)c2)nc2cccnc21
InChIInChI=1S/C14H13ClN4O2S/c1-19-13(18-12-6-3-7-16-14(12)19)9-17-22(20,21)11-5-2-4-10(15)8-11/h2-8,17H,9H2,1H3
InChIKeyKXEPMXQSKAUEHJ-UHFFFAOYSA-N
XLogP2.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53011009
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 53022592
4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021046
N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide
CID 53022556
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 53022613
N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021024
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 53022372
3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110786053
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 53022471
3-chloro-N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 53011007
3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53022572
3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672345

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide (CID 156599916) is 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide is Cn1c(CNS(=O)(=O)c2cccc(Cl)c2)nc2cccnc21.
What is the InChIKey of 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The InChIKey is KXEPMXQSKAUEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c1-19-13(18-12-6-3-7-16-14(12)19)9-17-22(20,21)11-5-2-4-10(15)8-11/h2-8,17H,9H2,1H3.
What are the key properties of 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide has a molecular weight of 336.80 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 156599916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).