4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide

C17H14N6O4S — CID 146021431

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C17H14N6O4S/c24-16-8-9-17(25)23(16)13-4-6-15(7-5-13)28(26,27)19-12-2-1-3-14(10-12)22-11-18-20-21-22/h1-7,10-11,19H,8-9H2
InChIKeyLKYPZSSDESJJDN-UHFFFAOYSA-N
MW398.40 g/mol
LogP1.12
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 146021431) has the molecular formula C17H14N6O4S and a molecular weight of 398.40 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID146021431
Molecular FormulaC17H14N6O4S
Molecular Weight398.40 g/mol
Exact Mass398.08
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C17H14N6O4S/c24-16-8-9-17(25)23(16)13-4-6-15(7-5-13)28(26,27)19-12-2-1-3-14(10-12)22-11-18-20-21-22/h1-7,10-11,19H,8-9H2
InChIKeyLKYPZSSDESJJDN-UHFFFAOYSA-N
XLogP1.12
TPSA127.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8823653
N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9317050
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
CID 867577
N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61250480
2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8519287
ethyl 3-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate
CID 100539948
N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 166204102
N-[4-(tetrazol-1-yl)phenyl]naphthalene-2-sulfonamide
CID 2467029
4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 1448327
4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815573
3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 43705672

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 146021431) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is LKYPZSSDESJJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O4S/c24-16-8-9-17(25)23(16)13-4-6-15(7-5-13)28(26,27)19-12-2-1-3-14(10-12)22-11-18-20-21-22/h1-7,10-11,19H,8-9H2.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 398.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 146021431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).