4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C11H11ClN2O2S2 — CID 23603416

IUPAC4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H11ClN2O2S2/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-9(12)3-5-11/h2-5,7,13H,6H2,1H3
InChIKeyLYOLXBJTZOMHAK-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.58
Rot. Bonds4

About 4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 23603416) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID23603416
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H11ClN2O2S2/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-9(12)3-5-11/h2-5,7,13H,6H2,1H3
InChIKeyLYOLXBJTZOMHAK-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-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 847131
4-chloro-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738778
4-[1-(4-Chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 2998200
5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 3237364
2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 5310200
4-[(4-Chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole
CID 2806214
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 23603418
2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 3240550
4-{[(4-Chlorophenyl)sulfonyl]methyl}-1,3-thiazol-2-amine
CID 750249
3-Fluoro-N-[(2-methyl-1,3-thiazol-4-YL)methyl]benzene-1-sulfonamide
CID 3236819
4-[(4-Chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole
CID 47038679

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 23603416) is 4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is LYOLXBJTZOMHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-9(12)3-5-11/h2-5,7,13H,6H2,1H3.
What are the key properties of 4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]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 4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 23603416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).