N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide

C17H18N2O3S2 — CID 53075154

IUPACN-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc21
InChIInChI=1S/C17H18N2O3S2/c1-3-10-19-15-9-8-14(11-16(15)23-17(19)20)24(21,22)18-13-6-4-12(2)5-7-13/h4-9,11,18H,3,10H2,1-2H3
InChIKeyOPKLTJDCGMOXHQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.58
Rot. Bonds5

About N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide

N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide (PubChem CID 53075154) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
PubChem CID53075154
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc21
InChIInChI=1S/C17H18N2O3S2/c1-3-10-19-15-9-8-14(11-16(15)23-17(19)20)24(21,22)18-13-6-4-12(2)5-7-13/h4-9,11,18H,3,10H2,1-2H3
InChIKeyOPKLTJDCGMOXHQ-UHFFFAOYSA-N
XLogP3.58
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100736426
N-(5-methyl-2-pyridinyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 53075107
N-[(4-methylphenyl)methyl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 53075124
4-fluoro-3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50800155
N-[3-(4-methylphenyl)propyl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100736532
ethyl 2-chloro-5-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzoate
CID 100737251
N-(2-ethyl-6-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100736009
N-(4-fluoro-2-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 53075152
N-(4-chloro-2-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100735297
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100738138
2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100735989
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3,4-dimethylbenzenesulfonamide
CID 50744059

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide (CID 53075154) is N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide is CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc21.
What is the InChIKey of N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide?
The InChIKey is OPKLTJDCGMOXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-3-10-19-15-9-8-14(11-16(15)23-17(19)20)24(21,22)18-13-6-4-12(2)5-7-13/h4-9,11,18H,3,10H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide?
N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 53075154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).