4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide

C18H18ClN3O3S — CID 24555835

IUPAC4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3S/c1-13(2)22(26(23,24)16-10-8-15(19)9-11-16)12-17-20-21-18(25-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyNLRDTTVNIJZRAZ-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.99
Rot. Bonds6

About 4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide

4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 24555835) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID24555835
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3S/c1-13(2)22(26(23,24)16-10-8-15(19)9-11-16)12-17-20-21-18(25-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyNLRDTTVNIJZRAZ-UHFFFAOYSA-N
XLogP3.99
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24506519
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555864
2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555857
2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 42632514
(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide
CID 8007010
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17468535
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55321964
5-(4-chlorophenyl)-3-[[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]methyl]-1,3,4-oxadiazole-2-thione
CID 17471745
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417
(1R)-1-(2,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 95934999
(2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol
CID 94824043
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 35345708

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide (CID 24555835) is 4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide is CC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is NLRDTTVNIJZRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-13(2)22(26(23,24)16-10-8-15(19)9-11-16)12-17-20-21-18(25-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 391.88 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 24555835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).