N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C17H18FN3O3S — CID 113085118

IUPACN-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C17H18FN3O3S/c1-10-16(11(2)24-21-10)25(22,23)20-9-17(5-6-17)14-8-19-15-4-3-12(18)7-13(14)15/h3-4,7-8,19-20H,5-6,9H2,1-2H3
InChIKeyFAJYPVYVKSWXQL-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.92
Rot. Bonds5

About N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113085118) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113085118
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C17H18FN3O3S/c1-10-16(11(2)24-21-10)25(22,23)20-9-17(5-6-17)14-8-19-15-4-3-12(18)7-13(14)15/h3-4,7-8,19-20H,5-6,9H2,1-2H3
InChIKeyFAJYPVYVKSWXQL-UHFFFAOYSA-N
XLogP2.92
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide
CID 11234629
N-(3,4-Dimethyl-isoxazol-5-yl)-2-(1H-indol-3-yl)-benzenesulfonamide
CID 9799352
N-{(E)-3-[1-(3,5-Dimethylisoxazol-4-ylmethyl)-5-fluoro-3-methyl-1H-indol-7-yl]acryloyl}-3,4-difluorobenzenesulfonamide
CID 44627719
US10385036, Example 30
CID 139417772
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 49655624
N-(5-methylisoxazol-3-yl)-4-[(1H-indol-3-ylmethylene)amino]benzenesulfonamide
CID 135883352
N-(3,4-dimethylisoxazol-5-yl)-4-[(1H-indol-3-ylmethylene)amino]benzenesulfonamide
CID 136167882
N-[2-(9H-carbazol-1-yl)phenyl]-5-methyl-1,2-oxazole-4-sulfonamide
CID 145970470
3,5-Dimethyl-4-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylsulfonyl-1,2-oxazole
CID 110197570
2-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]piperidin-4-YL}-N-[2-(1H-indol-3-YL)ethyl]acetamide
CID 53011394
1'-[(3,5-Dimethylisoxazol-4-YL)sulfonyl]-2-methyl-2,3,4,9-tetrahydrospiro[beta-carboline-1,4'-piperidine]
CID 110197602
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 20963883

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113085118) is N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC1(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is FAJYPVYVKSWXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-10-16(11(2)24-21-10)25(22,23)20-9-17(5-6-17)14-8-19-15-4-3-12(18)7-13(14)15/h3-4,7-8,19-20H,5-6,9H2,1-2H3.
What are the key properties of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 363.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113085118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).