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

C13H13ClN2O2S2 — CID 110728005

IUPAC4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1csc(C2CC2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2S2/c14-10-3-5-12(6-4-10)20(17,18)15-7-11-8-19-13(16-11)9-1-2-9/h3-6,8-9,15H,1-2,7H2
InChIKeyOIHHDAFPQIRCCA-UHFFFAOYSA-N
MW328.85 g/mol
LogP3.15
Rot. Bonds5

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

4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 110728005) has the molecular formula C13H13ClN2O2S2 and a molecular weight of 328.85 g/mol. Its IUPAC name is 4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID110728005
Molecular FormulaC13H13ClN2O2S2
Molecular Weight328.85 g/mol
Exact Mass328.01
IUPAC Name4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1csc(C2CC2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2S2/c14-10-3-5-12(6-4-10)20(17,18)15-7-11-8-19-13(16-11)9-1-2-9/h3-6,8-9,15H,1-2,7H2
InChIKeyOIHHDAFPQIRCCA-UHFFFAOYSA-N
XLogP3.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110728008
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110728011
2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324628
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110728027
3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324619
2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110727994
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-methylbutan-2-amine
CID 115625561
4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440454
4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714673
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 2386160

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 110728005) is 4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1csc(C2CC2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is OIHHDAFPQIRCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S2/c14-10-3-5-12(6-4-10)20(17,18)15-7-11-8-19-13(16-11)9-1-2-9/h3-6,8-9,15H,1-2,7H2.
What are the key properties of 4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 328.85 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110728005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).