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

C17H17N3O3S2 — CID 70701391

IUPAC4-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccccc1CNc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H17N3O3S2/c1-23-16-5-3-2-4-13(16)12-19-14-6-8-15(9-7-14)25(21,22)20-17-18-10-11-24-17/h2-11,19H,12H2,1H3,(H,18,20)
InChIKeyQFQAKJDLPCWYJG-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.56
Rot. Bonds7

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

4-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 70701391) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID70701391
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name4-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccccc1CNc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H17N3O3S2/c1-23-16-5-3-2-4-13(16)12-19-14-6-8-15(9-7-14)25(21,22)20-17-18-10-11-24-17/h2-11,19H,12H2,1H3,(H,18,20)
InChIKeyQFQAKJDLPCWYJG-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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Related Compounds

2-methoxy-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}benzamide
CID 1133320
4-[(4-methoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 1996815
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 1079729
3-[5-(4-Methoxy-benzylidene)-2,4-dioxo-thiazolidin-3-yl]-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-propionamide
CID 5758223
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 70701435
2,6-difluoro-4-[[(1S)-1-(2-fluoro-5-methoxyphenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585975
4-(2-Hydroxy-5-methyl-benzylamino)-N-thiazol-2-yl-benzenesulfonamide
CID 1079728
4-(2,3-dimethylphenoxy)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}butanamide
CID 1575150
2,6-dimethoxy-N-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl}benzamide
CID 1983764
2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 2915094
2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 2983262
N-[4-(Thiazol-2-ylsulfamoyl)-phenyl]-2-o-tolyloxy-propionamide
CID 3161313

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 70701391) is 4-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1ccccc1CNc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is QFQAKJDLPCWYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-23-16-5-3-2-4-13(16)12-19-14-6-8-15(9-7-14)25(21,22)20-17-18-10-11-24-17/h2-11,19H,12H2,1H3,(H,18,20).
What are the key properties of 4-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(2-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-[(2-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 70701391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).