N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide

C16H12ClN5O3S — CID 22201711

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc2nonc12
InChIInChI=1S/C16H12ClN5O3S/c17-12-6-4-11(5-7-12)10-22-9-8-15(18-22)21-26(23,24)14-3-1-2-13-16(14)20-25-19-13/h1-9H,10H2,(H,18,21)
InChIKeyWNALTIMKWXWIBE-UHFFFAOYSA-N
MW389.82 g/mol
LogP2.92
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 22201711) has the molecular formula C16H12ClN5O3S and a molecular weight of 389.82 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID22201711
Molecular FormulaC16H12ClN5O3S
Molecular Weight389.82 g/mol
Exact Mass389.03
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc2nonc12
InChIInChI=1S/C16H12ClN5O3S/c17-12-6-4-11(5-7-12)10-22-9-8-15(18-22)21-26(23,24)14-3-1-2-13-16(14)20-25-19-13/h1-9H,10H2,(H,18,21)
InChIKeyWNALTIMKWXWIBE-UHFFFAOYSA-N
XLogP2.92
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide
CID 22201715
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022917
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22206128
4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206918
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201717
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 17374551
N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 6467616
2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201917
N-(2,6-dimethylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22773719
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22201410
2,5-difluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201923
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22206859

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide (CID 22201711) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide is O=S(=O)(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc2nonc12.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is WNALTIMKWXWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O3S/c17-12-6-4-11(5-7-12)10-22-9-8-15(18-22)21-26(23,24)14-3-1-2-13-16(14)20-25-19-13/h1-9H,10H2,(H,18,21).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 389.82 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 22201711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).