N-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide

C16H12ClN3O3S — CID 10044145

IUPACN-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(Cn2sc(=O)[nH]c2=O)cc1
InChIInChI=1S/C16H12ClN3O3S/c17-12-5-7-13(8-6-12)18-14(21)11-3-1-10(2-4-11)9-20-15(22)19-16(23)24-20/h1-8H,9H2,(H,18,21)(H,19,22,23)
InChIKeySUEPBYZLMYHIIH-UHFFFAOYSA-N
MW361.81 g/mol
LogP2.55
Rot. Bonds4

About N-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide

N-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide (PubChem CID 10044145) has the molecular formula C16H12ClN3O3S and a molecular weight of 361.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide
PubChem CID10044145
Molecular FormulaC16H12ClN3O3S
Molecular Weight361.81 g/mol
Exact Mass361.03
IUPAC NameN-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(Cn2sc(=O)[nH]c2=O)cc1
InChIInChI=1S/C16H12ClN3O3S/c17-12-5-7-13(8-6-12)18-14(21)11-3-1-10(2-4-11)9-20-15(22)19-16(23)24-20/h1-8H,9H2,(H,18,21)(H,19,22,23)
InChIKeySUEPBYZLMYHIIH-UHFFFAOYSA-N
XLogP2.55
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
N-(4-chlorophenyl)-4-(iodomethyl)benzamide
CID 147537522
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CID 3731074
N-(4-chlorophenyl)-4-[(3,3-dimethyl-1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]benzamide
CID 10319246
N-[4-(aziridin-2-yl)-2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-4-ium-5-yl]-4-chlorobenzamide
CID 156726873
2-[4-[[4-[(4-chlorophenyl)carbamoyl]phenyl]methyl]piperazin-1-yl]ethanesulfonic acid
CID 10071792
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide
CID 135669314
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide (CID 10044145) is N-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(Cn2sc(=O)[nH]c2=O)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide?
The InChIKey is SUEPBYZLMYHIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S/c17-12-5-7-13(8-6-12)18-14(21)11-3-1-10(2-4-11)9-20-15(22)19-16(23)24-20/h1-8H,9H2,(H,18,21)(H,19,22,23).
What are the key properties of N-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide?
N-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide has a molecular weight of 361.81 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 10044145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).