1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide

C18H17N3O3S — CID 90624527

IUPAC1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H17N3O3S/c22-25(23,12-17-15-6-2-4-8-18(15)24-21-17)20-10-9-13-11-19-16-7-3-1-5-14(13)16/h1-8,11,19-20H,9-10,12H2
InChIKeyNSGNSXBBYXBOIU-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.97
Rot. Bonds6

About 1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide (PubChem CID 90624527) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
PubChem CID90624527
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H17N3O3S/c22-25(23,12-17-15-6-2-4-8-18(15)24-21-17)20-10-9-13-11-19-16-7-3-1-5-14(13)16/h1-8,11,19-20H,9-10,12H2
InChIKeyNSGNSXBBYXBOIU-UHFFFAOYSA-N
XLogP2.97
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-butylmethanesulfonamide
CID 90624393
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
CID 106386056
N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine
CID 84760927
1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 90624629
N-[2-(1H-indol-3-yl)ethyl]cyclopropanesulfonamide
CID 113250435
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017
2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 25035880
1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 72719861
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2737664

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide (CID 90624527) is 1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide?
The InChIKey is NSGNSXBBYXBOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-25(23,12-17-15-6-2-4-8-18(15)24-21-17)20-10-9-13-11-19-16-7-3-1-5-14(13)16/h1-8,11,19-20H,9-10,12H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 90624527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).