N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide

C21H16FN3O3S2 — CID 46325627

IUPACN-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2F)cc2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C21H16FN3O3S2/c1-13-11-15(25-30(27,28)18-10-6-5-9-16(18)22)12-17-19(13)23-21(29-17)24-20(26)14-7-3-2-4-8-14/h2-12,25H,1H3,(H,23,24,26)
InChIKeyZCOUTDMVQASVIU-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.80
Rot. Bonds5

About N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide

N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide (PubChem CID 46325627) has the molecular formula C21H16FN3O3S2 and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide
PubChem CID46325627
Molecular FormulaC21H16FN3O3S2
Molecular Weight441.51 g/mol
Exact Mass441.06
IUPAC NameN-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2F)cc2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C21H16FN3O3S2/c1-13-11-15(25-30(27,28)18-10-6-5-9-16(18)22)12-17-19(13)23-21(29-17)24-20(26)14-7-3-2-4-8-14/h2-12,25H,1H3,(H,23,24,26)
InChIKeyZCOUTDMVQASVIU-UHFFFAOYSA-N
XLogP4.80
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide
CID 46325634
N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46325687
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
CID 46291220
N-[6-[(3,4-difluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325722
N-[4-methyl-6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide
CID 46291137
3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 121041666
N-[6-[(4-ethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide
CID 46325926
N-[6-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325528
3-fluoro-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
CID 46291222
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 813916
N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325719

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide (CID 46325627) is N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide is Cc1cc(NS(=O)(=O)c2ccccc2F)cc2sc(NC(=O)c3ccccc3)nc12.
What is the InChIKey of N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is ZCOUTDMVQASVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S2/c1-13-11-15(25-30(27,28)18-10-6-5-9-16(18)22)12-17-19(13)23-21(29-17)24-20(26)14-7-3-2-4-8-14/h2-12,25H,1H3,(H,23,24,26).
What are the key properties of N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide?
N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 441.51 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 46325627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).