N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C16H12BrClN2O4S — CID 21007163

IUPACN-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccccc1Br)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl
InChIInChI=1S/C16H12BrClN2O4S/c17-12-3-1-2-4-14(12)19-16(22)11-6-5-10(9-13(11)18)20-15(21)7-8-25(20,23)24/h1-6,9H,7-8H2,(H,19,22)
InChIKeyIGIVIGICGVMPNR-UHFFFAOYSA-N
MW443.71 g/mol
LogP3.42
Rot. Bonds3

About N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21007163) has the molecular formula C16H12BrClN2O4S and a molecular weight of 443.71 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID21007163
Molecular FormulaC16H12BrClN2O4S
Molecular Weight443.71 g/mol
Exact Mass441.94
IUPAC NameN-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccccc1Br)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl
InChIInChI=1S/C16H12BrClN2O4S/c17-12-3-1-2-4-14(12)19-16(22)11-6-5-10(9-13(11)18)20-15(21)7-8-25(20,23)24/h1-6,9H,7-8H2,(H,19,22)
InChIKeyIGIVIGICGVMPNR-UHFFFAOYSA-N
XLogP3.42
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.71
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996979
2-chloro-N-(2-methoxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996983
2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996957
2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996989
N-(2-bromophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997199
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007173
2-chloro-N-(3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996951
N-butyl-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007117
2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007121
N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997161
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007177
2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996972

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21007163) is N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccccc1Br)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl.
What is the InChIKey of N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is IGIVIGICGVMPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O4S/c17-12-3-1-2-4-14(12)19-16(22)11-6-5-10(9-13(11)18)20-15(21)7-8-25(20,23)24/h1-6,9H,7-8H2,(H,19,22).
What are the key properties of N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 443.71 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21007163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).