3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C18H16ClN3O3S2 — CID 2551153

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)/N=c2/sccn2C)c1
InChIInChI=1S/C18H16ClN3O3S2/c1-21-9-10-26-18(21)20-17(23)13-5-3-8-16(11-13)27(24,25)22(2)15-7-4-6-14(19)12-15/h3-12H,1-2H3/b20-18+
InChIKeyOLFVFBNLWVKJKO-CZIZESTLSA-N
MW421.93 g/mol
LogP3.31
Rot. Bonds4

About 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 2551153) has the molecular formula C18H16ClN3O3S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID2551153
Molecular FormulaC18H16ClN3O3S2
Molecular Weight421.93 g/mol
Exact Mass421.03
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)/N=c2/sccn2C)c1
InChIInChI=1S/C18H16ClN3O3S2/c1-21-9-10-26-18(21)20-17(23)13-5-3-8-16(11-13)27(24,25)22(2)15-7-4-6-14(19)12-15/h3-12H,1-2H3/b20-18+
InChIKeyOLFVFBNLWVKJKO-CZIZESTLSA-N
XLogP3.31
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 31289913
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide
CID 86847643
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78857000
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119522322
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide
CID 119505867
N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55722334
3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide
CID 51067241
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2,5-difluorophenyl)benzamide
CID 2711433
methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate
CID 55343956

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 2551153) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)/N=c2/sccn2C)c1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is OLFVFBNLWVKJKO-CZIZESTLSA-N. The full InChI is InChI=1S/C18H16ClN3O3S2/c1-21-9-10-26-18(21)20-17(23)13-5-3-8-16(11-13)27(24,25)22(2)15-7-4-6-14(19)12-15/h3-12H,1-2H3/b20-18+.
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 421.93 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 2551153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).