3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide

C13H12Cl2N2O3S — CID 134036423

IUPAC3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-13-5-2-9(7-16-13)8-17-21(18,19)10-3-4-11(14)12(15)6-10/h2-7,17H,8H2,1H3
InChIKeyQLCRDJAPWSKGEY-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.88
Rot. Bonds5

About 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide

3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 134036423) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID134036423
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-13-5-2-9(7-16-13)8-17-21(18,19)10-3-4-11(14)12(15)6-10/h2-7,17H,8H2,1H3
InChIKeyQLCRDJAPWSKGEY-UHFFFAOYSA-N
XLogP2.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide
CID 51320453
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62989325
N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
CID 51320441
6-hydrazinyl-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62990289
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide
CID 107651707
3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide
CID 146725121

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide (CID 134036423) is 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is QLCRDJAPWSKGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-20-13-5-2-9(7-16-13)8-17-21(18,19)10-3-4-11(14)12(15)6-10/h2-7,17H,8H2,1H3.
What are the key properties of 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 347.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 134036423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).