4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide

C16H14ClN3O3S — CID 110322095

IUPAC4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
SMILESCc1nnc(C(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)o1
InChIInChI=1S/C16H14ClN3O3S/c1-11-18-19-16(23-11)15(12-5-3-2-4-6-12)20-24(21,22)14-9-7-13(17)8-10-14/h2-10,15,20H,1H3
InChIKeyRKFMTCKJNSUORZ-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.10
Rot. Bonds5

About 4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide

4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide (PubChem CID 110322095) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
PubChem CID110322095
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
SMILESCc1nnc(C(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)o1
InChIInChI=1S/C16H14ClN3O3S/c1-11-18-19-16(23-11)15(12-5-3-2-4-6-12)20-24(21,22)14-9-7-13(17)8-10-14/h2-10,15,20H,1H3
InChIKeyRKFMTCKJNSUORZ-UHFFFAOYSA-N
XLogP3.10
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 110322110
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 28887757
3-chloro-N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 92700767
3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 20960148
4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 92710992
N-[(4-bromophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 166175665
N-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-chlorobenzenesulfonamide
CID 168752834
4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 10471593
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 92711167
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide (CID 110322095) is 4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide is Cc1nnc(C(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)o1.
What is the InChIKey of 4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide?
The InChIKey is RKFMTCKJNSUORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-11-18-19-16(23-11)15(12-5-3-2-4-6-12)20-24(21,22)14-9-7-13(17)8-10-14/h2-10,15,20H,1H3.
What are the key properties of 4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide?
4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide has a molecular weight of 363.83 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 110322095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).