2-(pyrimidin-4-ylamino)benzenesulfonamide

C10H10N4O2S — CID 69322582

IUPAC2-(pyrimidin-4-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1Nc1ccncn1
InChIInChI=1S/C10H10N4O2S/c11-17(15,16)9-4-2-1-3-8(9)14-10-5-6-12-7-13-10/h1-7H,(H2,11,15,16)(H,12,13,14)
InChIKeyZKRWCRHKOASVPI-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.87
Rot. Bonds3

About 2-(pyrimidin-4-ylamino)benzenesulfonamide

2-(pyrimidin-4-ylamino)benzenesulfonamide (PubChem CID 69322582) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(pyrimidin-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(pyrimidin-4-ylamino)benzenesulfonamide
PubChem CID69322582
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-(pyrimidin-4-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1Nc1ccncn1
InChIInChI=1S/C10H10N4O2S/c11-17(15,16)9-4-2-1-3-8(9)14-10-5-6-12-7-13-10/h1-7H,(H2,11,15,16)(H,12,13,14)
InChIKeyZKRWCRHKOASVPI-UHFFFAOYSA-N
XLogP0.87
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-4-ylamino)benzenesulfonamide?
The IUPAC name of 2-(pyrimidin-4-ylamino)benzenesulfonamide (CID 69322582) is 2-(pyrimidin-4-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-(pyrimidin-4-ylamino)benzenesulfonamide?
The canonical SMILES for 2-(pyrimidin-4-ylamino)benzenesulfonamide is NS(=O)(=O)c1ccccc1Nc1ccncn1.
What is the InChIKey of 2-(pyrimidin-4-ylamino)benzenesulfonamide?
The InChIKey is ZKRWCRHKOASVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c11-17(15,16)9-4-2-1-3-8(9)14-10-5-6-12-7-13-10/h1-7H,(H2,11,15,16)(H,12,13,14).
What are the key properties of 2-(pyrimidin-4-ylamino)benzenesulfonamide?
2-(pyrimidin-4-ylamino)benzenesulfonamide has a molecular weight of 250.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 69322582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).