3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

C11H11ClN2O2S2 — CID 49458302

IUPAC3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cscn2)cc1Cl
InChIInChI=1S/C11H11ClN2O2S2/c1-8-2-3-10(4-11(8)12)18(15,16)14-5-9-6-17-7-13-9/h2-4,6-7,14H,5H2,1H3
InChIKeyFYDMVDCYZVTKNS-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.58
Rot. Bonds4

About 3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (PubChem CID 49458302) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
PubChem CID49458302
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cscn2)cc1Cl
InChIInChI=1S/C11H11ClN2O2S2/c1-8-2-3-10(4-11(8)12)18(15,16)14-5-9-6-17-7-13-9/h2-4,6-7,14H,5H2,1H3
InChIKeyFYDMVDCYZVTKNS-UHFFFAOYSA-N
XLogP2.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 113288438
3-chloro-4-(ethylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 107091503
3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458470
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824191
4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824323
2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 49458352
4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825079
2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
CID 63823461
3-chloro-4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352175
5-chloro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 110717389
4-(cyanomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 79195968

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (CID 49458302) is 3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cscn2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is FYDMVDCYZVTKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c1-8-2-3-10(4-11(8)12)18(15,16)14-5-9-6-17-7-13-9/h2-4,6-7,14H,5H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 302.81 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 49458302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).