N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide

C14H12ClN3O3S — CID 39818916

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc2nonc12)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O3S/c1-9(10-5-7-11(15)8-6-10)18-22(19,20)13-4-2-3-12-14(13)17-21-16-12/h2-9,18H,1H3/t9-/m1/s1
InChIKeyNTLJYAYCPBPFDU-SECBINFHSA-N
MW337.79 g/mol
LogP2.92
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 39818916) has the molecular formula C14H12ClN3O3S and a molecular weight of 337.79 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID39818916
Molecular FormulaC14H12ClN3O3S
Molecular Weight337.79 g/mol
Exact Mass337.03
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc2nonc12)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O3S/c1-9(10-5-7-11(15)8-6-10)18-22(19,20)13-4-2-3-12-14(13)17-21-16-12/h2-9,18H,1H3/t9-/m1/s1
InChIKeyNTLJYAYCPBPFDU-SECBINFHSA-N
XLogP2.92
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-propylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22204686
N-[1-(2,5-dimethylphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22201013
N-[(1R)-1-(3-butoxyphenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 39818989
N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
CID 3415984
N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide
CID 62158447
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 3236426
N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 6467616
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22201410
4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61105766
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 22772831
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 25238444

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide (CID 39818916) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide is C[C@@H](NS(=O)(=O)c1cccc2nonc12)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is NTLJYAYCPBPFDU-SECBINFHSA-N. The full InChI is InChI=1S/C14H12ClN3O3S/c1-9(10-5-7-11(15)8-6-10)18-22(19,20)13-4-2-3-12-14(13)17-21-16-12/h2-9,18H,1H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 337.79 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 39818916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).