9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide

C14H9N5O4S — CID 6102777

IUPAC9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide
SMILESO=c1c2ccccc2oc2ccc(S(=O)(=O)Nc3nn[nH]n3)cc12
InChIInChI=1S/C14H9N5O4S/c20-13-9-3-1-2-4-11(9)23-12-6-5-8(7-10(12)13)24(21,22)17-14-15-18-19-16-14/h1-7H,(H2,15,16,17,18,19)
InChIKeyHJWYZPGYPZNDTN-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.26
Rot. Bonds3

About 9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide

9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide (PubChem CID 6102777) has the molecular formula C14H9N5O4S and a molecular weight of 343.32 g/mol. Its IUPAC name is 9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide.

Molecular Properties

Compound Name9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide
PubChem CID6102777
Molecular FormulaC14H9N5O4S
Molecular Weight343.32 g/mol
Exact Mass343.04
IUPAC Name9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide
SMILESO=c1c2ccccc2oc2ccc(S(=O)(=O)Nc3nn[nH]n3)cc12
InChIInChI=1S/C14H9N5O4S/c20-13-9-3-1-2-4-11(9)23-12-6-5-8(7-10(12)13)24(21,22)17-14-15-18-19-16-14/h1-7H,(H2,15,16,17,18,19)
InChIKeyHJWYZPGYPZNDTN-UHFFFAOYSA-N
XLogP1.26
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylsulfonimidoyl)xanthen-9-one
CID 129396383
4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide
CID 25048371
N-hydroxydibenzofuran-2-sulfonamide
CID 90297905
3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide
CID 90673458
1-(2H-tetrazol-5-yl)xanthen-9-one
CID 154341759
propane;xanthen-9-one
CID 90876458
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
N-(9-oxoxanthen-2-yl)acetamide
CID 72793124
N-[4-(benzylamino)-2-oxochromen-3-yl]-3,4-dimethoxybenzenesulfonamide
CID 50778708
bis(9-oxoxanthen-2-yl)iodanium
CID 23034927
N-(2H-tetrazol-5-yl)sulfamate
CID 59847910
2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
CID 22394556

Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide?
The IUPAC name of 9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide (CID 6102777) is 9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide.
What is the SMILES notation for 9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide?
The canonical SMILES for 9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide is O=c1c2ccccc2oc2ccc(S(=O)(=O)Nc3nn[nH]n3)cc12.
What is the InChIKey of 9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide?
The InChIKey is HJWYZPGYPZNDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O4S/c20-13-9-3-1-2-4-11(9)23-12-6-5-8(7-10(12)13)24(21,22)17-14-15-18-19-16-14/h1-7H,(H2,15,16,17,18,19).
What are the key properties of 9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide?
9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide has a molecular weight of 343.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide is sourced from PubChem (CID 6102777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).