2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide

C18H16ClN3O5S2 — CID 42630323

IUPAC2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCOc1ncc(-c2cccc(S(=O)(=O)Nc3ccccc3S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C18H16ClN3O5S2/c1-27-18-15(19)10-13(11-21-18)12-5-4-6-14(9-12)29(25,26)22-16-7-2-3-8-17(16)28(20,23)24/h2-11,22H,1H3,(H2,20,23,24)
InChIKeyWVXMZKAIOMLXRH-UHFFFAOYSA-N
MW453.93 g/mol
LogP2.86
Rot. Bonds6

About 2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide

2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide (PubChem CID 42630323) has the molecular formula C18H16ClN3O5S2 and a molecular weight of 453.93 g/mol. Its IUPAC name is 2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide
PubChem CID42630323
Molecular FormulaC18H16ClN3O5S2
Molecular Weight453.93 g/mol
Exact Mass453.02
IUPAC Name2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCOc1ncc(-c2cccc(S(=O)(=O)Nc3ccccc3S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C18H16ClN3O5S2/c1-27-18-15(19)10-13(11-21-18)12-5-4-6-14(9-12)29(25,26)22-16-7-2-3-8-17(16)28(20,23)24/h2-11,22H,1H3,(H2,20,23,24)
InChIKeyWVXMZKAIOMLXRH-UHFFFAOYSA-N
XLogP2.86
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US10370333, Example III-12
CID 56684239
5-chloro-2-methoxy-N-[5-(3-methylphenyl)-3-pyridinyl]benzenesulfonamide
CID 56684290
US10370333, Example III-3
CID 89768573
US10370333, Example III-39
CID 89768585
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 1471186
N-(3-chloro-4-methoxyphenyl)quinoline-8-sulfonamide
CID 4102570
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide
CID 164610523
2-[[3-(6-Methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide
CID 57750942
2-[[3-(5-Fluoro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide
CID 57750962
3-[[3-(5-Chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]thiophene-2-sulfonamide
CID 57751077
2-[[4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]sulfonylamino]benzenesulfonamide
CID 57751035
4-(3-(5-Chloro-6-methoxypyridin-3-yl)phenylsulfonamido)pyridine-3-sulfonamide
CID 57751079

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide (CID 42630323) is 2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide is COc1ncc(-c2cccc(S(=O)(=O)Nc3ccccc3S(N)(=O)=O)c2)cc1Cl.
What is the InChIKey of 2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is WVXMZKAIOMLXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5S2/c1-27-18-15(19)10-13(11-21-18)12-5-4-6-14(9-12)29(25,26)22-16-7-2-3-8-17(16)28(20,23)24/h2-11,22H,1H3,(H2,20,23,24).
What are the key properties of 2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide?
2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 453.93 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 42630323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).