2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide

C10H15ClN2O2S2 — CID 43455971

IUPAC2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2O2S2/c11-10-12-7-9(16-10)17(14,15)13-6-8-4-2-1-3-5-8/h7-8,13H,1-6H2
InChIKeyRJXVHWYDQCHRJB-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.66
Rot. Bonds4

About 2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43455971) has the molecular formula C10H15ClN2O2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide
PubChem CID43455971
Molecular FormulaC10H15ClN2O2S2
Molecular Weight294.83 g/mol
Exact Mass294.03
IUPAC Name2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2O2S2/c11-10-12-7-9(16-10)17(14,15)13-6-8-4-2-1-3-5-8/h7-8,13H,1-6H2
InChIKeyRJXVHWYDQCHRJB-UHFFFAOYSA-N
XLogP2.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide (CID 43455971) is 2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(NCC1CCCCC1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is RJXVHWYDQCHRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2/c11-10-12-7-9(16-10)17(14,15)13-6-8-4-2-1-3-5-8/h7-8,13H,1-6H2.
What are the key properties of 2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 294.83 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).