4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide

C19H18N2O2S2 — CID 130448674

IUPAC4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide
SMILESCc1nc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)sc1-c1ccccc1
InChIInChI=1S/C19H18N2O2S2/c1-12-18(14-5-3-2-4-6-14)24-19(21-12)17-11-16(17)13-7-9-15(10-8-13)25(20,22)23/h2-10,16-17H,11H2,1H3,(H2,20,22,23)/t16-,17+/m0/s1
InChIKeyVOYLTCVCUUXETJ-DLBZAZTESA-N
MW370.50 g/mol
LogP4.04
Rot. Bonds4

About 4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide

4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide (PubChem CID 130448674) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide
PubChem CID130448674
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC Name4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide
SMILESCc1nc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)sc1-c1ccccc1
InChIInChI=1S/C19H18N2O2S2/c1-12-18(14-5-3-2-4-6-14)24-19(21-12)17-11-16(17)13-7-9-15(10-8-13)25(20,22)23/h2-10,16-17H,11H2,1H3,(H2,20,22,23)/t16-,17+/m0/s1
InChIKeyVOYLTCVCUUXETJ-DLBZAZTESA-N
XLogP4.04
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide (CID 130448674) is 4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide is Cc1nc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)sc1-c1ccccc1.
What is the InChIKey of 4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide?
The InChIKey is VOYLTCVCUUXETJ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-12-18(14-5-3-2-4-6-14)24-19(21-12)17-11-16(17)13-7-9-15(10-8-13)25(20,22)23/h2-10,16-17H,11H2,1H3,(H2,20,22,23)/t16-,17+/m0/s1.
What are the key properties of 4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide?
4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide has a molecular weight of 370.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 130448674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).