4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide

C15H14ClN3O5S3 — CID 154848314

IUPAC4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cscc3Cl)cc2)c1C
InChIInChI=1S/C15H14ClN3O5S3/c1-9-10(2)17-24-15(9)19-26(20,21)12-5-3-11(4-6-12)18-27(22,23)14-8-25-7-13(14)16/h3-8,18-19H,1-2H3
InChIKeyVTNXFQHLVZZNET-UHFFFAOYSA-N
MW447.95 g/mol
LogP3.61
Rot. Bonds6

About 4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide

4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide (PubChem CID 154848314) has the molecular formula C15H14ClN3O5S3 and a molecular weight of 447.95 g/mol. Its IUPAC name is 4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide
PubChem CID154848314
Molecular FormulaC15H14ClN3O5S3
Molecular Weight447.95 g/mol
Exact Mass446.98
IUPAC Name4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cscc3Cl)cc2)c1C
InChIInChI=1S/C15H14ClN3O5S3/c1-9-10(2)17-24-15(9)19-26(20,21)12-5-3-11(4-6-12)18-27(22,23)14-8-25-7-13(14)16/h3-8,18-19H,1-2H3
InChIKeyVTNXFQHLVZZNET-UHFFFAOYSA-N
XLogP3.61
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.95
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide with MolForge

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Related Compounds

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19683718
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
CID 10015852
3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 42283699
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4-dimethoxybenzenesulfonamide
CID 19683706
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 3765964
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
4-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 14973488
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19683725
4-(diethylphosphorylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 134087514
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 18617399
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide
CID 65486818

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide?
The IUPAC name of 4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide (CID 154848314) is 4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide?
The canonical SMILES for 4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide is Cc1noc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cscc3Cl)cc2)c1C.
What is the InChIKey of 4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide?
The InChIKey is VTNXFQHLVZZNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5S3/c1-9-10(2)17-24-15(9)19-26(20,21)12-5-3-11(4-6-12)18-27(22,23)14-8-25-7-13(14)16/h3-8,18-19H,1-2H3.
What are the key properties of 4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide?
4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide has a molecular weight of 447.95 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 154848314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).