N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide

C12H9ClN4O2S2 — CID 107266701

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
SMILESCc1nc(Cl)ccc1NS(=O)(=O)c1cccc2c1N=S=N2
InChIInChI=1S/C12H9ClN4O2S2/c1-7-8(5-6-11(13)14-7)17-21(18,19)10-4-2-3-9-12(10)16-20-15-9/h2-6,17H,1H3
InChIKeyCYJCMJATKXBUPA-UHFFFAOYSA-N
MW340.82 g/mol
LogP3.57
Rot. Bonds3

About N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide

N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide (PubChem CID 107266701) has the molecular formula C12H9ClN4O2S2 and a molecular weight of 340.82 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
PubChem CID107266701
Molecular FormulaC12H9ClN4O2S2
Molecular Weight340.82 g/mol
Exact Mass339.99
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
SMILESCc1nc(Cl)ccc1NS(=O)(=O)c1cccc2c1N=S=N2
InChIInChI=1S/C12H9ClN4O2S2/c1-7-8(5-6-11(13)14-7)17-21(18,19)10-4-2-3-9-12(10)16-20-15-9/h2-6,17H,1H3
InChIKeyCYJCMJATKXBUPA-UHFFFAOYSA-N
XLogP3.57
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide
CID 107266790
5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 107266690
N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 107266798
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 107266789
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 83101526
N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide
CID 106273443
N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide
CID 87538260
N-(1-chloro-3-methylpentan-3-yl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 106170260
N-(4-amino-3-bromophenyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 82864059
N-[(E)-4-chlorobut-2-enyl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 81429633
3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine
CID 107266804
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 113349554

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide (CID 107266701) is N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide is Cc1nc(Cl)ccc1NS(=O)(=O)c1cccc2c1N=S=N2.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide?
The InChIKey is CYJCMJATKXBUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S2/c1-7-8(5-6-11(13)14-7)17-21(18,19)10-4-2-3-9-12(10)16-20-15-9/h2-6,17H,1H3.
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide?
N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide has a molecular weight of 340.82 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide is sourced from PubChem (CID 107266701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).