N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide

C11H10N2O3S2 — CID 154810387

IUPACN-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(-c2cscn2)c1
InChIInChI=1S/C11H10N2O3S2/c1-18(15,16)13-11(14)9-4-2-3-8(5-9)10-6-17-7-12-10/h2-7H,1H3,(H,13,14)
InChIKeyHHOQNXJXAPKQFL-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.50
Rot. Bonds3

About N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide

N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide (PubChem CID 154810387) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide
PubChem CID154810387
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC NameN-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(-c2cscn2)c1
InChIInChI=1S/C11H10N2O3S2/c1-18(15,16)13-11(14)9-4-2-3-8(5-9)10-6-17-7-12-10/h2-7H,1H3,(H,13,14)
InChIKeyHHOQNXJXAPKQFL-UHFFFAOYSA-N
XLogP1.50
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide
CID 167989035
3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide
CID 29088076
3-bromo-N-methylsulfonylbenzamide
CID 47269279
3-methyl-N-methylsulfonylbenzamide
CID 18331681
N-methylsulfonyl-3-propan-2-ylbenzamide
CID 59434803
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide
CID 146154732
[3-(1,3-thiazol-4-yl)phenyl]boronic acid
CID 67212303
3-[[3-(1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967624
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 135376255
3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 63024100

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide (CID 154810387) is N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide is CS(=O)(=O)NC(=O)c1cccc(-c2cscn2)c1.
What is the InChIKey of N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide?
The InChIKey is HHOQNXJXAPKQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-18(15,16)13-11(14)9-4-2-3-8(5-9)10-6-17-7-12-10/h2-7H,1H3,(H,13,14).
What are the key properties of N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide?
N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide has a molecular weight of 282.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 154810387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).