3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide

C7H10Cl2N4O2S — CID 79632714

IUPAC3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1nc(Cl)ncc1Cl
InChIInChI=1S/C7H10Cl2N4O2S/c8-5-4-12-7(9)13-6(5)11-2-1-3-16(10,14)15/h4H,1-3H2,(H2,10,14,15)(H,11,12,13)
InChIKeyTULYLTGZFSPODQ-UHFFFAOYSA-N
MW285.16 g/mol
LogP0.87
Rot. Bonds5

About 3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide

3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide (PubChem CID 79632714) has the molecular formula C7H10Cl2N4O2S and a molecular weight of 285.16 g/mol. Its IUPAC name is 3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide
PubChem CID79632714
Molecular FormulaC7H10Cl2N4O2S
Molecular Weight285.16 g/mol
Exact Mass283.99
IUPAC Name3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1nc(Cl)ncc1Cl
InChIInChI=1S/C7H10Cl2N4O2S/c8-5-4-12-7(9)13-6(5)11-2-1-3-16(10,14)15/h4H,1-3H2,(H2,10,14,15)(H,11,12,13)
InChIKeyTULYLTGZFSPODQ-UHFFFAOYSA-N
XLogP0.87
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 79080717
3-[(2-chloropyrimidin-4-yl)amino]propane-1-sulfonamide
CID 62342869
2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine
CID 79633123
3-[(2-amino-5-bromopyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80819569
5-chloro-2-N-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-2,4-diamine
CID 80811591
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
2,5-dichloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79632100
2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide
CID 102750379
2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240010
N'-benzyl-N-(2,5-dichloropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 79639329
N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 79633335
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide
CID 79075455

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide (CID 79632714) is 3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide is NS(=O)(=O)CCCNc1nc(Cl)ncc1Cl.
What is the InChIKey of 3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide?
The InChIKey is TULYLTGZFSPODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N4O2S/c8-5-4-12-7(9)13-6(5)11-2-1-3-16(10,14)15/h4H,1-3H2,(H2,10,14,15)(H,11,12,13).
What are the key properties of 3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide?
3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide has a molecular weight of 285.16 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 79632714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).