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

C18H16ClN3O3S2 — CID 46510170

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1
InChIInChI=1S/C18H16ClN3O3S2/c1-27(24,25)22-14-8-6-12(7-9-14)17(23)21-18-20-11-15(26-18)10-13-4-2-3-5-16(13)19/h2-9,11,22H,10H2,1H3,(H,20,21,23)
InChIKeyOZUXHMUNZXLLPV-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.01
Rot. Bonds6

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

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide (PubChem CID 46510170) has the molecular formula C18H16ClN3O3S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
PubChem CID46510170
Molecular FormulaC18H16ClN3O3S2
Molecular Weight421.93 g/mol
Exact Mass421.03
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1
InChIInChI=1S/C18H16ClN3O3S2/c1-27(24,25)22-14-8-6-12(7-9-14)17(23)21-18-20-11-15(26-18)10-13-4-2-3-5-16(13)19/h2-9,11,22H,10H2,1H3,(H,20,21,23)
InChIKeyOZUXHMUNZXLLPV-UHFFFAOYSA-N
XLogP4.01
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
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N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
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3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
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N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55480337
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]dibenzofuran-2-carboxamide
CID 18876171
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
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N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoacetamide
CID 2068778
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride
CID 163327093
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 35955297
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide (CID 46510170) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide?
The InChIKey is OZUXHMUNZXLLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S2/c1-27(24,25)22-14-8-6-12(7-9-14)17(23)21-18-20-11-15(26-18)10-13-4-2-3-5-16(13)19/h2-9,11,22H,10H2,1H3,(H,20,21,23).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide has a molecular weight of 421.93 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 46510170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).