N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide

C16H15ClN4O2S — CID 22771869

IUPACN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ncn(Cc2ccccc2Cl)n1
InChIInChI=1S/C16H15ClN4O2S/c17-15-9-5-4-8-14(15)10-21-12-18-16(19-21)20-24(22,23)11-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)
InChIKeyBTGDTNOCQDWACS-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.92
Rot. Bonds6

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

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide (PubChem CID 22771869) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide
PubChem CID22771869
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ncn(Cc2ccccc2Cl)n1
InChIInChI=1S/C16H15ClN4O2S/c17-15-9-5-4-8-14(15)10-21-12-18-16(19-21)20-24(22,23)11-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)
InChIKeyBTGDTNOCQDWACS-UHFFFAOYSA-N
XLogP2.92
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22771873
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22771888
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22771887
N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
CID 19581941
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 39853499
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 22207135
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771811
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide
CID 47059896
4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 4770418
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19268631
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide
CID 4863029
N-(1-benzyl-1,2,4-triazol-3-yl)-2,5-dimethylbenzenesulfonamide
CID 4775772

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide (CID 22771869) is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ncn(Cc2ccccc2Cl)n1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide?
The InChIKey is BTGDTNOCQDWACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c17-15-9-5-4-8-14(15)10-21-12-18-16(19-21)20-24(22,23)11-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide?
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 22771869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).