4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid

C20H15N5O4S — CID 146601229

IUPAC4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C20H15N5O4S/c26-20(27)18-10-9-15(14-5-2-1-3-6-14)11-19(18)22-30(28,29)17-8-4-7-16(12-17)25-13-21-23-24-25/h1-13,22H,(H,26,27)
InChIKeyBZNUMOPIMRSBKV-UHFFFAOYSA-N
MW421.44 g/mol
LogP2.83
Rot. Bonds6

About 4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid

4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid (PubChem CID 146601229) has the molecular formula C20H15N5O4S and a molecular weight of 421.44 g/mol. Its IUPAC name is 4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid
PubChem CID146601229
Molecular FormulaC20H15N5O4S
Molecular Weight421.44 g/mol
Exact Mass421.08
IUPAC Name4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C20H15N5O4S/c26-20(27)18-10-9-15(14-5-2-1-3-6-14)11-19(18)22-30(28,29)17-8-4-7-16(12-17)25-13-21-23-24-25/h1-13,22H,(H,26,27)
InChIKeyBZNUMOPIMRSBKV-UHFFFAOYSA-N
XLogP2.83
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzenesulfonamido)-4-phenylbenzamide
CID 70022066
N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 86858423
3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118760169
N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide
CID 71346601
2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid
CID 123387963
2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid
CID 159273501
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
2-hydroxy-4-(tetrazol-1-yl)benzoic acid
CID 855909
2-[[3-(2-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
CID 162219143
2-hydroxy-5-(tetrazol-1-yl)benzoic acid
CID 3136529
2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 61454990
4-phenyl-2-(2,3,4,5-tetrahydro-1-benzoxepin-7-ylsulfonylamino)benzoic acid
CID 158681936

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid (CID 146601229) is 4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid is O=C(O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is BZNUMOPIMRSBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4S/c26-20(27)18-10-9-15(14-5-2-1-3-6-14)11-19(18)22-30(28,29)17-8-4-7-16(12-17)25-13-21-23-24-25/h1-13,22H,(H,26,27).
What are the key properties of 4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid?
4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 421.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 146601229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).