4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide

C16H13N5O3S — CID 135599991

IUPAC4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
SMILESNc1c2c(=O)[nH]c3ccccc3c2nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H13N5O3S/c17-15-13-14(11-3-1-2-4-12(11)19-16(13)22)20-21(15)9-5-7-10(8-6-9)25(18,23)24/h1-8H,17H2,(H,19,22)(H2,18,23,24)
InChIKeyDTPXVRCGDCPHMO-UHFFFAOYSA-N
MW355.38 g/mol
LogP1.10
Rot. Bonds2

About 4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide

4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide (PubChem CID 135599991) has the molecular formula C16H13N5O3S and a molecular weight of 355.38 g/mol. Its IUPAC name is 4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
PubChem CID135599991
Molecular FormulaC16H13N5O3S
Molecular Weight355.38 g/mol
Exact Mass355.07
IUPAC Name4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
SMILESNc1c2c(=O)[nH]c3ccccc3c2nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H13N5O3S/c17-15-13-14(11-3-1-2-4-12(11)19-16(13)22)20-21(15)9-5-7-10(8-6-9)25(18,23)24/h1-8H,17H2,(H,19,22)(H2,18,23,24)
InChIKeyDTPXVRCGDCPHMO-UHFFFAOYSA-N
XLogP1.10
TPSA136.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide (CID 135599991) is 4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide is Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide?
The InChIKey is DTPXVRCGDCPHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3S/c17-15-13-14(11-3-1-2-4-12(11)19-16(13)22)20-21(15)9-5-7-10(8-6-9)25(18,23)24/h1-8H,17H2,(H,19,22)(H2,18,23,24).
What are the key properties of 4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide?
4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide has a molecular weight of 355.38 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide is sourced from PubChem (CID 135599991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).