1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide

C11H11ClN2O2S2 — CID 110738887

IUPAC1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1nccs1
InChIInChI=1S/C11H11ClN2O2S2/c12-10-3-1-9(2-4-10)8-18(15,16)14-7-11-13-5-6-17-11/h1-6,14H,7-8H2
InChIKeyIHGWMACMGDRVBE-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.42
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide

1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide (PubChem CID 110738887) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
PubChem CID110738887
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1nccs1
InChIInChI=1S/C11H11ClN2O2S2/c12-10-3-1-9(2-4-10)8-18(15,16)14-7-11-13-5-6-17-11/h1-6,14H,7-8H2
InChIKeyIHGWMACMGDRVBE-UHFFFAOYSA-N
XLogP2.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440454
1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110739044
1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 110725753
1-(4-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718503
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide
CID 30380870
1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide
CID 110446196
4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 115329878
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
CID 110714894
(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997
1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 90496858
1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
CID 18891250

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide (CID 110738887) is 1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCc1nccs1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide?
The InChIKey is IHGWMACMGDRVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c12-10-3-1-9(2-4-10)8-18(15,16)14-7-11-13-5-6-17-11/h1-6,14H,7-8H2.
What are the key properties of 1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide?
1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide has a molecular weight of 302.81 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110738887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).