5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide

C17H15ClN2O3S2 — CID 91625706

IUPAC5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C17H15ClN2O3S2/c1-23-16-3-2-14(18)9-17(16)25(21,22)20-10-12-4-6-19-15(8-12)13-5-7-24-11-13/h2-9,11,20H,10H2,1H3
InChIKeyWSDJEPNTTBAAIC-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.95
Rot. Bonds6

About 5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide

5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 91625706) has the molecular formula C17H15ClN2O3S2 and a molecular weight of 394.91 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID91625706
Molecular FormulaC17H15ClN2O3S2
Molecular Weight394.91 g/mol
Exact Mass394.02
IUPAC Name5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C17H15ClN2O3S2/c1-23-16-3-2-14(18)9-17(16)25(21,22)20-10-12-4-6-19-15(8-12)13-5-7-24-11-13/h2-9,11,20H,10H2,1H3
InChIKeyWSDJEPNTTBAAIC-UHFFFAOYSA-N
XLogP3.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166003
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165981
2,6-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166004
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 110717401
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 91625714
4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide
CID 121166056
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
4-(2-chlorophenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166043
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 91625706) is 5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1ccnc(-c2ccsc2)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is WSDJEPNTTBAAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S2/c1-23-16-3-2-14(18)9-17(16)25(21,22)20-10-12-4-6-19-15(8-12)13-5-7-24-11-13/h2-9,11,20H,10H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 394.91 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91625706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).