4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C10H9ClN2O2S2 — CID 110440454

IUPAC4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O2S2/c11-8-1-3-9(4-2-8)17(14,15)13-7-10-12-5-6-16-10/h1-6,13H,7H2
InChIKeyBAUBKZDIYPNIPM-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.28
Rot. Bonds4

About 4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 110440454) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID110440454
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O2S2/c11-8-1-3-9(4-2-8)17(14,15)13-7-10-12-5-6-16-10/h1-6,13H,7H2
InChIKeyBAUBKZDIYPNIPM-UHFFFAOYSA-N
XLogP2.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 115329878
1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
CID 110738887
3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110446621
N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide
CID 110443097
3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 61285408
3-(aminomethyl)-4-chloro-5-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 81458041
4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870210
2-chloro-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 61074126
5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 114166198
5-methyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 110738878
2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 62056645
2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid
CID 61285438

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 110440454) is 4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1nccs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is BAUBKZDIYPNIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c11-8-1-3-9(4-2-8)17(14,15)13-7-10-12-5-6-16-10/h1-6,13H,7H2.
What are the key properties of 4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 288.78 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110440454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).