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

C20H20N4O2S — CID 151395921

IUPAC4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide
SMILESCN(c1ccccc1)c1nccc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C20H20N4O2S/c1-24(15-5-3-2-4-6-15)20-22-12-11-19(23-20)18-13-17(18)14-7-9-16(10-8-14)27(21,25)26/h2-12,17-18H,13H2,1H3,(H2,21,25,26)/t17-,18+/m0/s1
InChIKeyOVLFIIYJKYZNHE-ZWKOTPCHSA-N
MW380.47 g/mol
LogP3.16
Rot. Bonds5

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

4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide (PubChem CID 151395921) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide
PubChem CID151395921
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide
SMILESCN(c1ccccc1)c1nccc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C20H20N4O2S/c1-24(15-5-3-2-4-6-15)20-22-12-11-19(23-20)18-13-17(18)14-7-9-16(10-8-14)27(21,25)26/h2-12,17-18H,13H2,1H3,(H2,21,25,26)/t17-,18+/m0/s1
InChIKeyOVLFIIYJKYZNHE-ZWKOTPCHSA-N
XLogP3.16
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R,2R)-2-[2-(dimethylamino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide
CID 153326402
4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide
CID 139461985
4-[(1R,2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)cyclopropyl]benzenesulfonamide
CID 153326424
4-[(1R,2R)-2-(2-cyclobutyl-4-pyridinyl)cyclopropyl]benzenesulfonamide
CID 151230206
4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide
CID 130448674
4-[(1R,2R)-2-(3-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide
CID 153326417
4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide
CID 130448493
N-methyl-N-phenyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883885
N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine
CID 70513757
2-[(1S,2R)-2-phenylcyclopropyl]pyridine
CID 124647097
N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112902154
N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884516

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide (CID 151395921) is 4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide is CN(c1ccccc1)c1nccc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide?
The InChIKey is OVLFIIYJKYZNHE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-24(15-5-3-2-4-6-15)20-22-12-11-19(23-20)18-13-17(18)14-7-9-16(10-8-14)27(21,25)26/h2-12,17-18H,13H2,1H3,(H2,21,25,26)/t17-,18+/m0/s1.
What are the key properties of 4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide?
4-[(1R,2R)-2-[2-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.16, 5 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-(N-methylanilino)pyrimidin-4-yl]cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 151395921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).