N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide

C19H16Cl2N2O3S2 — CID 16552582

IUPACN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide
SMILESCc1sc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N2O3S2/c1-12-18(13-2-4-14(20)5-3-13)23-19(27-12)22-17(24)10-11-28(25,26)16-8-6-15(21)7-9-16/h2-9H,10-11H2,1H3,(H,22,23,24)
InChIKeyGDSNJXSXBXSNTN-UHFFFAOYSA-N
MW455.39 g/mol
LogP5.23
Rot. Bonds6

About N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide (PubChem CID 16552582) has the molecular formula C19H16Cl2N2O3S2 and a molecular weight of 455.39 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide
PubChem CID16552582
Molecular FormulaC19H16Cl2N2O3S2
Molecular Weight455.39 g/mol
Exact Mass454.00
IUPAC NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide
SMILESCc1sc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N2O3S2/c1-12-18(13-2-4-14(20)5-3-13)23-19(27-12)22-17(24)10-11-28(25,26)16-8-6-15(21)7-9-16/h2-9H,10-11H2,1H3,(H,22,23,24)
InChIKeyGDSNJXSXBXSNTN-UHFFFAOYSA-N
XLogP5.23
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(4-chlorophenyl)sulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
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3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide
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3-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
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4-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)butanamide
CID 41319706
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide (CID 16552582) is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide is Cc1sc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide?
The InChIKey is GDSNJXSXBXSNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3S2/c1-12-18(13-2-4-14(20)5-3-13)23-19(27-12)22-17(24)10-11-28(25,26)16-8-6-15(21)7-9-16/h2-9H,10-11H2,1H3,(H,22,23,24).
What are the key properties of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide?
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide has a molecular weight of 455.39 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 16552582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).