N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide

C15H13N3O2S3 — CID 10919389

IUPACN-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide
SMILESC/C(=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccs1
InChIInChI=1S/C15H13N3O2S3/c1-11(14-3-2-9-21-14)17-12-4-6-13(7-5-12)23(19,20)18-15-16-8-10-22-15/h2-10H,1H3,(H,16,18)/b17-11+
InChIKeyYBWLXKSUKAEFJX-GZTJUZNOSA-N
MW363.49 g/mol
LogP4.15
Rot. Bonds5

About N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide

N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide (PubChem CID 10919389) has the molecular formula C15H13N3O2S3 and a molecular weight of 363.49 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide
PubChem CID10919389
Molecular FormulaC15H13N3O2S3
Molecular Weight363.49 g/mol
Exact Mass363.02
IUPAC NameN-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide
SMILESC/C(=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccs1
InChIInChI=1S/C15H13N3O2S3/c1-11(14-3-2-9-21-14)17-12-4-6-13(7-5-12)23(19,20)18-15-16-8-10-22-15/h2-10H,1H3,(H,16,18)/b17-11+
InChIKeyYBWLXKSUKAEFJX-GZTJUZNOSA-N
XLogP4.15
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
CID 24846810
(Z)-2-methyl-3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1308409
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
4-(2,5-dihydroxypyrrol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 54037138
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate
CID 139204733
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 1157126
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
4-[(2-oxo-1H-indol-3-ylidene)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 135451596

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide (CID 10919389) is N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide is C/C(=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide?
The InChIKey is YBWLXKSUKAEFJX-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H13N3O2S3/c1-11(14-3-2-9-21-14)17-12-4-6-13(7-5-12)23(19,20)18-15-16-8-10-22-15/h2-10H,1H3,(H,16,18)/b17-11+.
What are the key properties of N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide?
N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide has a molecular weight of 363.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide is sourced from PubChem (CID 10919389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).