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

C19H22ClN5O3S — CID 112796691

IUPAC3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H22ClN5O3S/c1-4-21-16-10-9-13(29(26,27)25(2)3)11-17(16)22-12-18-23-24-19(28-18)14-7-5-6-8-15(14)20/h5-11,21-22H,4,12H2,1-3H3
InChIKeyKRWIGXQCYCWSGU-UHFFFAOYSA-N
MW435.94 g/mol
LogP3.68
Rot. Bonds8

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

3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 112796691) has the molecular formula C19H22ClN5O3S and a molecular weight of 435.94 g/mol. Its IUPAC name is 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID112796691
Molecular FormulaC19H22ClN5O3S
Molecular Weight435.94 g/mol
Exact Mass435.11
IUPAC Name3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H22ClN5O3S/c1-4-21-16-10-9-13(29(26,27)25(2)3)11-17(16)22-12-18-23-24-19(28-18)14-7-5-6-8-15(14)20/h5-11,21-22H,4,12H2,1-3H3
InChIKeyKRWIGXQCYCWSGU-UHFFFAOYSA-N
XLogP3.68
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 55554248
3-[[(1S)-2,2-dichlorocyclopropyl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 25352213
4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 24541411
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline
CID 43236759
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline
CID 110652197
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-piperidin-1-ylsulfonylaniline
CID 112796538
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trifluoroaniline
CID 75380564
1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110652203
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-fluoroaniline
CID 110652178
2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 42632515
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(dimethylsulfamoyl)-N-propylbenzamide
CID 55361291
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321583

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide (CID 112796691) is 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is KRWIGXQCYCWSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O3S/c1-4-21-16-10-9-13(29(26,27)25(2)3)11-17(16)22-12-18-23-24-19(28-18)14-7-5-6-8-15(14)20/h5-11,21-22H,4,12H2,1-3H3.
What are the key properties of 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide?
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 435.94 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 112796691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).