4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide

C15H18N4O2S — CID 153326402

IUPAC4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide
SMILESCN(C)c1nccc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H18N4O2S/c1-19(2)15-17-8-7-14(18-15)13-9-12(13)10-3-5-11(6-4-10)22(16,20)21/h3-8,12-13H,9H2,1-2H3,(H2,16,20,21)/t12-,13+/m0/s1
InChIKeyWJXAJLJLFPEDFQ-QWHCGFSZSA-N
MW318.40 g/mol
LogP1.46
Rot. Bonds4

About 4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide

4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide (PubChem CID 153326402) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide
PubChem CID153326402
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide
SMILESCN(C)c1nccc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H18N4O2S/c1-19(2)15-17-8-7-14(18-15)13-9-12(13)10-3-5-11(6-4-10)22(16,20)21/h3-8,12-13H,9H2,1-2H3,(H2,16,20,21)/t12-,13+/m0/s1
InChIKeyWJXAJLJLFPEDFQ-QWHCGFSZSA-N
XLogP1.46
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide (CID 153326402) is 4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide is CN(C)c1nccc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide?
The InChIKey is WJXAJLJLFPEDFQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-19(2)15-17-8-7-14(18-15)13-9-12(13)10-3-5-11(6-4-10)22(16,20)21/h3-8,12-13H,9H2,1-2H3,(H2,16,20,21)/t12-,13+/m0/s1.
What are the key properties of 4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide?
4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 153326402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).