4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide

C10H17ClN2O2S2 — CID 116816033

IUPAC4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide
SMILESCCc1nc(NS(=O)(=O)CCCCCl)sc1C
InChIInChI=1S/C10H17ClN2O2S2/c1-3-9-8(2)16-10(12-9)13-17(14,15)7-5-4-6-11/h3-7H2,1-2H3,(H,12,13)
InChIKeyFNWZDRIFWNZJKZ-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.77
Rot. Bonds7

About 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide

4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide (PubChem CID 116816033) has the molecular formula C10H17ClN2O2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide
PubChem CID116816033
Molecular FormulaC10H17ClN2O2S2
Molecular Weight296.85 g/mol
Exact Mass296.04
IUPAC Name4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide
SMILESCCc1nc(NS(=O)(=O)CCCCCl)sc1C
InChIInChI=1S/C10H17ClN2O2S2/c1-3-9-8(2)16-10(12-9)13-17(14,15)7-5-4-6-11/h3-7H2,1-2H3,(H,12,13)
InChIKeyFNWZDRIFWNZJKZ-UHFFFAOYSA-N
XLogP2.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide (CID 116816033) is 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide is CCc1nc(NS(=O)(=O)CCCCCl)sc1C.
What is the InChIKey of 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide?
The InChIKey is FNWZDRIFWNZJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2S2/c1-3-9-8(2)16-10(12-9)13-17(14,15)7-5-4-6-11/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide?
4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide has a molecular weight of 296.85 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 116816033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).