4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide

C16H11F2N3O3S — CID 167957364

IUPAC4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide
SMILESCc1nc2c(F)cc(NS(=O)(=O)c3c[nH]c4cccc(F)c34)cc2o1
InChIInChI=1S/C16H11F2N3O3S/c1-8-20-16-11(18)5-9(6-13(16)24-8)21-25(22,23)14-7-19-12-4-2-3-10(17)15(12)14/h2-7,19,21H,1H3
InChIKeySYZNOXKYVNHKDJ-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.70
Rot. Bonds3

About 4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide

4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide (PubChem CID 167957364) has the molecular formula C16H11F2N3O3S and a molecular weight of 363.35 g/mol. Its IUPAC name is 4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide
PubChem CID167957364
Molecular FormulaC16H11F2N3O3S
Molecular Weight363.35 g/mol
Exact Mass363.05
IUPAC Name4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide
SMILESCc1nc2c(F)cc(NS(=O)(=O)c3c[nH]c4cccc(F)c34)cc2o1
InChIInChI=1S/C16H11F2N3O3S/c1-8-20-16-11(18)5-9(6-13(16)24-8)21-25(22,23)14-7-19-12-4-2-3-10(17)15(12)14/h2-7,19,21H,1H3
InChIKeySYZNOXKYVNHKDJ-UHFFFAOYSA-N
XLogP3.70
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide with MolForge

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Related Compounds

3,4-difluoro-1H-indole
CID 90939330
N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046446
N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 175014970
3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 59018206
N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53173972
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729056
2,4-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729055
N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 54937098
2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 69227449
2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070394
N-(3,4,5-trifluorophenyl)isoquinoline-5-sulfonamide
CID 25049723
(2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792530

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide (CID 167957364) is 4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide is Cc1nc2c(F)cc(NS(=O)(=O)c3c[nH]c4cccc(F)c34)cc2o1.
What is the InChIKey of 4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide?
The InChIKey is SYZNOXKYVNHKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O3S/c1-8-20-16-11(18)5-9(6-13(16)24-8)21-25(22,23)14-7-19-12-4-2-3-10(17)15(12)14/h2-7,19,21H,1H3.
What are the key properties of 4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide?
4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide has a molecular weight of 363.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 167957364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).