N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide

C10H9N7O2S — CID 61250480

IUPACN-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cn[nH]c1
InChIInChI=1S/C10H9N7O2S/c18-20(19,10-5-11-12-6-10)14-8-2-1-3-9(4-8)17-7-13-15-16-17/h1-7,14H,(H,11,12)
InChIKeyXBABGFJGXKTHRG-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.19
Rot. Bonds4

About N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide

N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61250480) has the molecular formula C10H9N7O2S and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID61250480
Molecular FormulaC10H9N7O2S
Molecular Weight291.30 g/mol
Exact Mass291.05
IUPAC NameN-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cn[nH]c1
InChIInChI=1S/C10H9N7O2S/c18-20(19,10-5-11-12-6-10)14-8-2-1-3-9(4-8)17-7-13-15-16-17/h1-7,14H,(H,11,12)
InChIKeyXBABGFJGXKTHRG-UHFFFAOYSA-N
XLogP0.19
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9317050
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 146021431
2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8519287
3-(1H-pyrazol-4-ylsulfonylamino)benzenecarbothioamide
CID 54937180
4-(2-oxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8823653
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274374
4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815573
3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 43705672
2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 61454990
N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 86858423

Frequently Asked Questions

What is the IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide (CID 61250480) is N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cn[nH]c1.
What is the InChIKey of N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is XBABGFJGXKTHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7O2S/c18-20(19,10-5-11-12-6-10)14-8-2-1-3-9(4-8)17-7-13-15-16-17/h1-7,14H,(H,11,12).
What are the key properties of N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide?
N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 291.30 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61250480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).