N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H16ClN3O3S — CID 19615363

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H16ClN3O3S/c1-9-15(10(2)22-19-9)23(20,21)18-6-5-11-8-17-14-4-3-12(16)7-13(11)14/h3-4,7-8,17-18H,5-6H2,1-2H3
InChIKeyLTURPUYIZOIHLR-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.95
Rot. Bonds5

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 19615363) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID19615363
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H16ClN3O3S/c1-9-15(10(2)22-19-9)23(20,21)18-6-5-11-8-17-14-4-3-12(16)7-13(11)14/h3-4,7-8,17-18H,5-6H2,1-2H3
InChIKeyLTURPUYIZOIHLR-UHFFFAOYSA-N
XLogP2.95
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.95
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-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 49655624
N-(3,4-dimethylisoxazol-5-yl)-4-[(1H-indol-3-ylmethylene)amino]benzenesulfonamide
CID 136167882
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 172434748
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
3,5-Dimethyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylsulfonyl)-1,2-oxazole
CID 25944941
3,5-dimethyl-4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1,2-oxazole
CID 48036241
[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 51950995
4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 24743698
6-chloro-N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-1H-indole-3-sulfonamide
CID 176172993

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 19615363) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is LTURPUYIZOIHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-9-15(10(2)22-19-9)23(20,21)18-6-5-11-8-17-14-4-3-12(16)7-13(11)14/h3-4,7-8,17-18H,5-6H2,1-2H3.
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 353.83 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 19615363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).