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

C13H11ClN4O2S2 — CID 22771873

IUPACN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2ccccc2Cl)n1)c1cccs1
InChIInChI=1S/C13H11ClN4O2S2/c14-11-5-2-1-4-10(11)8-18-9-15-13(16-18)17-22(19,20)12-6-3-7-21-12/h1-7,9H,8H2,(H,16,17)
InChIKeyZYIPWMKUGZTNSK-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.84
Rot. Bonds5

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

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide (PubChem CID 22771873) has the molecular formula C13H11ClN4O2S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
PubChem CID22771873
Molecular FormulaC13H11ClN4O2S2
Molecular Weight354.84 g/mol
Exact Mass354.00
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2ccccc2Cl)n1)c1cccs1
InChIInChI=1S/C13H11ClN4O2S2/c14-11-5-2-1-4-10(11)8-18-9-15-13(16-18)17-22(19,20)12-6-3-7-21-12/h1-7,9H,8H2,(H,16,17)
InChIKeyZYIPWMKUGZTNSK-UHFFFAOYSA-N
XLogP2.84
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylmethanesulfonamide
CID 22771869
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22771887
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22771888
N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22771789
5-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22772042
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]-3,5-dimethoxybenzamide
CID 4863029
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771811
N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
CID 19581941
5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 4770047
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19268631
2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22772197

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide (CID 22771873) is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1ncn(Cc2ccccc2Cl)n1)c1cccs1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is ZYIPWMKUGZTNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S2/c14-11-5-2-1-4-10(11)8-18-9-15-13(16-18)17-22(19,20)12-6-3-7-21-12/h1-7,9H,8H2,(H,16,17).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide?
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 354.84 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22771873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).