N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide

C16H13F3N2O3S2 — CID 56592927

IUPACN-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(C)c2sc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C16H13F3N2O3S2/c1-9-3-8-12(24-2)13-14(9)25-15(20-13)21-26(22,23)11-6-4-10(5-7-11)16(17,18)19/h3-8H,1-2H3,(H,20,21)
InChIKeyZWFARCPRJNDWHQ-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.43
Rot. Bonds4

About N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 56592927) has the molecular formula C16H13F3N2O3S2 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID56592927
Molecular FormulaC16H13F3N2O3S2
Molecular Weight402.42 g/mol
Exact Mass402.03
IUPAC NameN-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(C)c2sc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C16H13F3N2O3S2/c1-9-3-8-12(24-2)13-14(9)25-15(20-13)21-26(22,23)11-6-4-10(5-7-11)16(17,18)19/h3-8H,1-2H3,(H,20,21)
InChIKeyZWFARCPRJNDWHQ-UHFFFAOYSA-N
XLogP4.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzenesulfonamide
CID 16934102
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 74227200
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 7192788
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 28690712
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 18586958
4-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3376104
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 5162311
2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18587083
4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
CID 82549536
4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 656127
N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549533
N-(4-methoxy-3-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945038

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 56592927) is N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide is COc1ccc(C)c2sc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZWFARCPRJNDWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3S2/c1-9-3-8-12(24-2)13-14(9)25-15(20-13)21-26(22,23)11-6-4-10(5-7-11)16(17,18)19/h3-8H,1-2H3,(H,20,21).
What are the key properties of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 402.42 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 56592927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).