4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide

C16H14ClN3O5S — CID 10287450

IUPAC4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide
SMILESCOc1nn(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c(=O)o1
InChIInChI=1S/C16H14ClN3O5S/c1-10-9-12(20-16(21)25-15(18-20)24-2)5-8-14(10)19-26(22,23)13-6-3-11(17)4-7-13/h3-9,19H,1-2H3
InChIKeyQTKNENFABYLONL-UHFFFAOYSA-N
MW395.82 g/mol
LogP2.60
Rot. Bonds5

About 4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide

4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide (PubChem CID 10287450) has the molecular formula C16H14ClN3O5S and a molecular weight of 395.82 g/mol. Its IUPAC name is 4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide
PubChem CID10287450
Molecular FormulaC16H14ClN3O5S
Molecular Weight395.82 g/mol
Exact Mass395.03
IUPAC Name4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide
SMILESCOc1nn(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c(=O)o1
InChIInChI=1S/C16H14ClN3O5S/c1-10-9-12(20-16(21)25-15(18-20)24-2)5-8-14(10)19-26(22,23)13-6-3-11(17)4-7-13/h3-9,19H,1-2H3
InChIKeyQTKNENFABYLONL-UHFFFAOYSA-N
XLogP2.60
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide with MolForge

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Related Compounds

5-methoxy-3-[3-methyl-4-[[(Z)-4-oxopent-2-en-2-yl]amino]phenyl]-1,3,4-oxadiazol-2-one
CID 70155062
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 3315949
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
(4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate
CID 22620315
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
methyl 3-methyl-4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate
CID 25469548
1-N-(4-chloro-2-methylphenyl)-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 2681540
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzenesulfonamide
CID 169372023

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide (CID 10287450) is 4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide is COc1nn(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c(=O)o1.
What is the InChIKey of 4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide?
The InChIKey is QTKNENFABYLONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5S/c1-10-9-12(20-16(21)25-15(18-20)24-2)5-8-14(10)19-26(22,23)13-6-3-11(17)4-7-13/h3-9,19H,1-2H3.
What are the key properties of 4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide?
4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide has a molecular weight of 395.82 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 10287450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).