3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide

C19H19ClN4O4S — CID 60535395

IUPAC3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H19ClN4O4S/c1-27-17-9-8-15(29(25,26)24-14-6-7-14)10-16(17)21-11-18-22-19(23-28-18)12-2-4-13(20)5-3-12/h2-5,8-10,14,21,24H,6-7,11H2,1H3
InChIKeyBZDXNZMYXYQMPG-UHFFFAOYSA-N
MW434.91 g/mol
LogP3.45
Rot. Bonds8

About 3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide

3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide (PubChem CID 60535395) has the molecular formula C19H19ClN4O4S and a molecular weight of 434.91 g/mol. Its IUPAC name is 3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide
PubChem CID60535395
Molecular FormulaC19H19ClN4O4S
Molecular Weight434.91 g/mol
Exact Mass434.08
IUPAC Name3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H19ClN4O4S/c1-27-17-9-8-15(29(25,26)24-14-6-7-14)10-16(17)21-11-18-22-19(23-28-18)12-2-4-13(20)5-3-12/h2-5,8-10,14,21,24H,6-7,11H2,1H3
InChIKeyBZDXNZMYXYQMPG-UHFFFAOYSA-N
XLogP3.45
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide with MolForge

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Related Compounds

N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 110293562
3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N,N,4-trimethylbenzenesulfonamide
CID 55409548
3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 33161073
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyaniline
CID 55409486
5-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
CID 100749957
3-fluoro-4-methoxy-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 99837652
N-cyclopropyl-3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-methoxybenzenesulfonamide
CID 34066534
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 4899070
5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154373
2,3-dichloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 55436861
3-chloro-4-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 66485558
2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide
CID 43047742

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide (CID 60535395) is 3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide?
The InChIKey is BZDXNZMYXYQMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4S/c1-27-17-9-8-15(29(25,26)24-14-6-7-14)10-16(17)21-11-18-22-19(23-28-18)12-2-4-13(20)5-3-12/h2-5,8-10,14,21,24H,6-7,11H2,1H3.
What are the key properties of 3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide?
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide has a molecular weight of 434.91 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 60535395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).