4-(phthalazin-1-ylamino)benzenesulfonamide

C14H12N4O2S — CID 134141290

IUPAC4-(phthalazin-1-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nncc3ccccc23)cc1
InChIInChI=1S/C14H12N4O2S/c15-21(19,20)12-7-5-11(6-8-12)17-14-13-4-2-1-3-10(13)9-16-18-14/h1-9H,(H,17,18)(H2,15,19,20)
InChIKeyDIVNHQLVPJIYEC-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.02
Rot. Bonds3

About 4-(phthalazin-1-ylamino)benzenesulfonamide

4-(phthalazin-1-ylamino)benzenesulfonamide (PubChem CID 134141290) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-(phthalazin-1-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(phthalazin-1-ylamino)benzenesulfonamide
PubChem CID134141290
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name4-(phthalazin-1-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nncc3ccccc23)cc1
InChIInChI=1S/C14H12N4O2S/c15-21(19,20)12-7-5-11(6-8-12)17-14-13-4-2-1-3-10(13)9-16-18-14/h1-9H,(H,17,18)(H2,15,19,20)
InChIKeyDIVNHQLVPJIYEC-UHFFFAOYSA-N
XLogP2.02
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(phthalazin-1-ylamino)benzenesulfonamide?
The IUPAC name of 4-(phthalazin-1-ylamino)benzenesulfonamide (CID 134141290) is 4-(phthalazin-1-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-(phthalazin-1-ylamino)benzenesulfonamide?
The canonical SMILES for 4-(phthalazin-1-ylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nncc3ccccc23)cc1.
What is the InChIKey of 4-(phthalazin-1-ylamino)benzenesulfonamide?
The InChIKey is DIVNHQLVPJIYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-21(19,20)12-7-5-11(6-8-12)17-14-13-4-2-1-3-10(13)9-16-18-14/h1-9H,(H,17,18)(H2,15,19,20).
What are the key properties of 4-(phthalazin-1-ylamino)benzenesulfonamide?
4-(phthalazin-1-ylamino)benzenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phthalazin-1-ylamino)benzenesulfonamide is sourced from PubChem (CID 134141290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).