2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide

C10H10ClN5O2S — CID 76924210

IUPAC2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccc(Cl)cc1)NCc1nn[nH]n1
InChIInChI=1S/C10H10ClN5O2S/c11-9-3-1-8(2-4-9)5-6-19(17,18)12-7-10-13-15-16-14-10/h1-6,12H,7H2,(H,13,14,15,16)
InChIKeyJCUDGDYNFAUBGX-UHFFFAOYSA-N
MW299.74 g/mol
LogP0.94
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide

2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide (PubChem CID 76924210) has the molecular formula C10H10ClN5O2S and a molecular weight of 299.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide
PubChem CID76924210
Molecular FormulaC10H10ClN5O2S
Molecular Weight299.74 g/mol
Exact Mass299.02
IUPAC Name2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccc(Cl)cc1)NCc1nn[nH]n1
InChIInChI=1S/C10H10ClN5O2S/c11-9-3-1-8(2-4-9)5-6-19(17,18)12-7-10-13-15-16-14-10/h1-6,12H,7H2,(H,13,14,15,16)
InChIKeyJCUDGDYNFAUBGX-UHFFFAOYSA-N
XLogP0.94
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191409
(E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide
CID 78797891
2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide
CID 91942582
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
CID 43237715
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803
(E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide
CID 31841750
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
CID 9302302
2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
CID 76948208
(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide
CID 32940502
(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935897
ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
CID 54921365
(E)-2-(4-chlorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]ethenesulfonamide
CID 55914931

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide (CID 76924210) is 2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide is O=S(=O)(C=Cc1ccc(Cl)cc1)NCc1nn[nH]n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide?
The InChIKey is JCUDGDYNFAUBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2S/c11-9-3-1-8(2-4-9)5-6-19(17,18)12-7-10-13-15-16-14-10/h1-6,12H,7H2,(H,13,14,15,16).
What are the key properties of 2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide?
2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide has a molecular weight of 299.74 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide is sourced from PubChem (CID 76924210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).