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

C7H11ClN2O2S2 — CID 116814761

IUPAC4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1nccs1
InChIInChI=1S/C7H11ClN2O2S2/c8-3-1-2-6-14(11,12)10-7-9-4-5-13-7/h4-5H,1-3,6H2,(H,9,10)
InChIKeyVGAQZLJDHSOZOU-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.90
Rot. Bonds6

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

4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide (PubChem CID 116814761) has the molecular formula C7H11ClN2O2S2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
PubChem CID116814761
Molecular FormulaC7H11ClN2O2S2
Molecular Weight254.76 g/mol
Exact Mass254.00
IUPAC Name4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1nccs1
InChIInChI=1S/C7H11ClN2O2S2/c8-3-1-2-6-14(11,12)10-7-9-4-5-13-7/h4-5H,1-3,6H2,(H,9,10)
InChIKeyVGAQZLJDHSOZOU-UHFFFAOYSA-N
XLogP1.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.90
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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Related Compounds

n-butyl-N-2-thiazolylsulfonamide
CID 9117500
1-fluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
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CID 123940985
11-Dioxo-N-(13-thiazol-2-YL)-1lambda6-thiolane-3-sulfonamide
CID 16958018
N-(1,3-thiazol-2-yl)methanesulfonamide
CID 3532089
2-amino-N-(1,3-thiazol-2-yl)ethanesulfonamide
CID 16784506
N-2-thiazolylSulfamide
CID 17776181
Propane-1-sulfonic acid;1,3-thiazol-2-amine
CID 20261300
N-(1,3-thiazol-2-yl)sulfamate
CID 59847899
N-2-Thiazolylethanesulfonamide
CID 60650347
N-(Thiazol-2-yl)propane-1-sulfonamide
CID 60650348
N-(1,3-thiazol-2-yl)propane-2-sulfonamide
CID 62999253

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide (CID 116814761) is 4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide is O=S(=O)(CCCCCl)Nc1nccs1.
What is the InChIKey of 4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide?
The InChIKey is VGAQZLJDHSOZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S2/c8-3-1-2-6-14(11,12)10-7-9-4-5-13-7/h4-5H,1-3,6H2,(H,9,10).
What are the key properties of 4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide?
4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide has a molecular weight of 254.76 g/mol, XLogP of 1.90, 6 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-yl)butane-1-sulfonamide is sourced from PubChem (CID 116814761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).