N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide

C16H13F2N3O3S2 — CID 20971871

IUPACN-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc2s1
InChIInChI=1S/C16H13F2N3O3S2/c1-2-15(22)20-16-19-12-8-10(4-6-13(12)25-16)21-26(23,24)14-7-9(17)3-5-11(14)18/h3-8,21H,2H2,1H3,(H,19,20,22)
InChIKeyKOROLEBVCRKLFU-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.72
Rot. Bonds5

About N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide

N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide (PubChem CID 20971871) has the molecular formula C16H13F2N3O3S2 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
PubChem CID20971871
Molecular FormulaC16H13F2N3O3S2
Molecular Weight397.43 g/mol
Exact Mass397.04
IUPAC NameN-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc2s1
InChIInChI=1S/C16H13F2N3O3S2/c1-2-15(22)20-16-19-12-8-10(4-6-13(12)25-16)21-26(23,24)14-7-9(17)3-5-11(14)18/h3-8,21H,2H2,1H3,(H,19,20,22)
InChIKeyKOROLEBVCRKLFU-UHFFFAOYSA-N
XLogP3.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]butanamide
CID 46379279
N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 20971843
4-methyl-N-[5-[[4-(propanoylamino)phenyl]sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46379311
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
CID 20971886
N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide
CID 46328581
N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971882
N-[5-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971908
N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide
CID 20971892
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]propanamide
CID 50882223
5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 167944643
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 62998699
N-[5-[(3-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971915

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide?
The IUPAC name of N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide (CID 20971871) is N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide is CCC(=O)Nc1nc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc2s1.
What is the InChIKey of N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide?
The InChIKey is KOROLEBVCRKLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3S2/c1-2-15(22)20-16-19-12-8-10(4-6-13(12)25-16)21-26(23,24)14-7-9(17)3-5-11(14)18/h3-8,21H,2H2,1H3,(H,19,20,22).
What are the key properties of N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide?
N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide has a molecular weight of 397.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide is sourced from PubChem (CID 20971871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).