2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

C14H9ClF3N5O2S — CID 8823439

IUPAC2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nn[nH]n2)c1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H9ClF3N5O2S/c15-11-5-4-9(14(16,17)18)7-12(11)26(24,25)21-10-3-1-2-8(6-10)13-19-22-23-20-13/h1-7,21H,(H,19,20,22,23)
InChIKeyJHMSBYANCUGBCG-UHFFFAOYSA-N
MW403.77 g/mol
LogP3.34
Rot. Bonds4

About 2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 8823439) has the molecular formula C14H9ClF3N5O2S and a molecular weight of 403.77 g/mol. Its IUPAC name is 2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID8823439
Molecular FormulaC14H9ClF3N5O2S
Molecular Weight403.77 g/mol
Exact Mass403.01
IUPAC Name2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nn[nH]n2)c1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H9ClF3N5O2S/c15-11-5-4-9(14(16,17)18)7-12(11)26(24,25)21-10-3-1-2-8(6-10)13-19-22-23-20-13/h1-7,21H,(H,19,20,22,23)
InChIKeyJHMSBYANCUGBCG-UHFFFAOYSA-N
XLogP3.34
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.77
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41159278
5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 175177926
2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 43985827
5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
CID 2101092
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 22576015
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24602856
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 35955999
2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 43069632
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303
6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53092160

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide (CID 8823439) is 2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(-c2nn[nH]n2)c1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JHMSBYANCUGBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N5O2S/c15-11-5-4-9(14(16,17)18)7-12(11)26(24,25)21-10-3-1-2-8(6-10)13-19-22-23-20-13/h1-7,21H,(H,19,20,22,23).
What are the key properties of 2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 403.77 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 8823439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).