N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide

C14H15ClN6O2S — CID 22771887

IUPACN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ncn(Cc3ccccc3Cl)n2)cnn1C
InChIInChI=1S/C14H15ClN6O2S/c1-10-13(7-17-20(10)2)24(22,23)19-14-16-9-21(18-14)8-11-5-3-4-6-12(11)15/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyRWTYFIUSHBSBRI-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.82
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 22771887) has the molecular formula C14H15ClN6O2S and a molecular weight of 366.83 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID22771887
Molecular FormulaC14H15ClN6O2S
Molecular Weight366.83 g/mol
Exact Mass366.07
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ncn(Cc3ccccc3Cl)n2)cnn1C
InChIInChI=1S/C14H15ClN6O2S/c1-10-13(7-17-20(10)2)24(22,23)19-14-16-9-21(18-14)8-11-5-3-4-6-12(11)15/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyRWTYFIUSHBSBRI-UHFFFAOYSA-N
XLogP1.82
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide
CID 22772134
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22771717
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22771888
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022737
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22771873
4-chloro-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475945
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide
CID 22771869
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22202990
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022679
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22205801
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
CID 46268338

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide (CID 22771887) is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2ncn(Cc3ccccc3Cl)n2)cnn1C.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is RWTYFIUSHBSBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O2S/c1-10-13(7-17-20(10)2)24(22,23)19-14-16-9-21(18-14)8-11-5-3-4-6-12(11)15/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide?
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 366.83 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22771887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).