N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide

C17H13ClN4O3S — CID 135964979

IUPACN-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)cc1
InChIInChI=1S/C17H13ClN4O3S/c1-26(23,24)22-13-5-2-10(3-6-13)16-20-17(25-21-16)15-9-11-8-12(18)4-7-14(11)19-15/h2-9,19,22H,1H3
InChIKeySGLFDHJGRHUFLT-UHFFFAOYSA-N
MW388.84 g/mol
LogP3.91
Rot. Bonds4

About N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide

N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide (PubChem CID 135964979) has the molecular formula C17H13ClN4O3S and a molecular weight of 388.84 g/mol. Its IUPAC name is N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
PubChem CID135964979
Molecular FormulaC17H13ClN4O3S
Molecular Weight388.84 g/mol
Exact Mass388.04
IUPAC NameN-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)cc1
InChIInChI=1S/C17H13ClN4O3S/c1-26(23,24)22-13-5-2-10(3-6-13)16-20-17(25-21-16)15-9-11-8-12(18)4-7-14(11)19-15/h2-9,19,22H,1H3
InChIKeySGLFDHJGRHUFLT-UHFFFAOYSA-N
XLogP3.91
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.84
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(4-methylsulfonylphenyl)-1H-indole
CID 19694477
N-[4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 50822971
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol
CID 135894697
N-[4-(6-chloroquinoxalin-2-yl)phenyl]methanesulfonamide
CID 159141337
N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 118730579
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50822916
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide
CID 53126847
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 4899070
4-chloro-N-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]benzenesulfonamide
CID 50823101
2-(5-chloro-1H-indol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 137185111
N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823022
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-(4-methylphenyl)-1-benzofuran-5-sulfonamide
CID 53082492

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide (CID 135964979) is N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)cc1.
What is the InChIKey of N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The InChIKey is SGLFDHJGRHUFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3S/c1-26(23,24)22-13-5-2-10(3-6-13)16-20-17(25-21-16)15-9-11-8-12(18)4-7-14(11)19-15/h2-9,19,22H,1H3.
What are the key properties of N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide has a molecular weight of 388.84 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 135964979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).