2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide

C10H15ClN2O3S2 — CID 55086514

IUPAC2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)c1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2O3S2/c11-9-12-6-8(17-9)18(15,16)13-10(7-14)4-2-1-3-5-10/h6,13-14H,1-5,7H2
InChIKeyMJCTYOQIMXAIIR-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.77
Rot. Bonds4

About 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide (PubChem CID 55086514) has the molecular formula C10H15ClN2O3S2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
PubChem CID55086514
Molecular FormulaC10H15ClN2O3S2
Molecular Weight310.83 g/mol
Exact Mass310.02
IUPAC Name2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)c1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2O3S2/c11-9-12-6-8(17-9)18(15,16)13-10(7-14)4-2-1-3-5-10/h6,13-14H,1-5,7H2
InChIKeyMJCTYOQIMXAIIR-UHFFFAOYSA-N
XLogP1.77
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide (CID 55086514) is 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide is O=S(=O)(NC1(CO)CCCCC1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is MJCTYOQIMXAIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S2/c11-9-12-6-8(17-9)18(15,16)13-10(7-14)4-2-1-3-5-10/h6,13-14H,1-5,7H2.
What are the key properties of 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 310.83 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55086514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).