4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C17H17N3O4S2 — CID 70701400

IUPAC4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(O)c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C17H17N3O4S2/c1-24-14-4-7-16(21)12(10-14)11-19-13-2-5-15(6-3-13)26(22,23)20-17-18-8-9-25-17/h2-10,19,21H,11H2,1H3,(H,18,20)
InChIKeyBHCWYALTHAQWOQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.27
Rot. Bonds7

About 4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 70701400) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID70701400
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC Name4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(O)c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C17H17N3O4S2/c1-24-14-4-7-16(21)12(10-14)11-19-13-2-5-15(6-3-13)26(22,23)20-17-18-8-9-25-17/h2-10,19,21H,11H2,1H3,(H,18,20)
InChIKeyBHCWYALTHAQWOQ-UHFFFAOYSA-N
XLogP3.27
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}benzamide
CID 1133320
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 1079729
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 70701435
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 76317616
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
N-[4-(Thiazol-2-ylsulfamoyl)-phenyl]-2-o-tolyloxy-propionamide
CID 3161313
2-(2,5-Dimethyl-phenoxy)-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-propionamide
CID 3163326
3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 7998856
3-[(5E)-2,4-diketo-5-o-anisylidene-thiazolidin-3-yl]-N-[4-(thiazol-2-ylsulfamoyl)phenyl]propionamide
CID 15944732
3-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 40217901

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 70701400) is 4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1ccc(O)c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1.
What is the InChIKey of 4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is BHCWYALTHAQWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-24-14-4-7-16(21)12(10-14)11-19-13-2-5-15(6-3-13)26(22,23)20-17-18-8-9-25-17/h2-10,19,21H,11H2,1H3,(H,18,20).
What are the key properties of 4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 391.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-5-methoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 70701400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).