4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C17H17N3O3S2 — CID 70701447

IUPAC4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C17H17N3O3S2/c1-23-15-4-2-3-13(11-15)12-19-14-5-7-16(8-6-14)25(21,22)20-17-18-9-10-24-17/h2-11,19H,12H2,1H3,(H,18,20)
InChIKeyXELKSCBGLRFYJZ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.56
Rot. Bonds7

About 4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 70701447) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID70701447
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C17H17N3O3S2/c1-23-15-4-2-3-13(11-15)12-19-14-5-7-16(8-6-14)25(21,22)20-17-18-9-10-24-17/h2-11,19H,12H2,1H3,(H,18,20)
InChIKeyXELKSCBGLRFYJZ-UHFFFAOYSA-N
XLogP3.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 70701447) is 4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is XELKSCBGLRFYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-23-15-4-2-3-13(11-15)12-19-14-5-7-16(8-6-14)25(21,22)20-17-18-9-10-24-17/h2-11,19H,12H2,1H3,(H,18,20).
What are the key properties of 4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 375.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 70701447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).