3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide

C8H13ClN2O2S2 — CID 79586158

IUPAC3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCc1cscn1
InChIInChI=1S/C8H13ClN2O2S2/c1-7(2-9)5-15(12,13)11-3-8-4-14-6-10-8/h4,6-7,11H,2-3,5H2,1H3
InChIKeyWHASHGXWUFKBGU-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.44
Rot. Bonds6

About 3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide

3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide (PubChem CID 79586158) has the molecular formula C8H13ClN2O2S2 and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide
PubChem CID79586158
Molecular FormulaC8H13ClN2O2S2
Molecular Weight268.79 g/mol
Exact Mass268.01
IUPAC Name3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCc1cscn1
InChIInChI=1S/C8H13ClN2O2S2/c1-7(2-9)5-15(12,13)11-3-8-4-14-6-10-8/h4,6-7,11H,2-3,5H2,1H3
InChIKeyWHASHGXWUFKBGU-UHFFFAOYSA-N
XLogP1.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823756
1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63823637
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
CID 122558057
1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823783
4-[[(3-chloro-2-methylpropyl)sulfonylamino]methyl]benzenesulfonamide
CID 79580119
3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302
5-chloro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 110717389
1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823577
3-chloro-N-[(3-fluorophenyl)methyl]-2-methylpropane-1-sulfonamide
CID 79586262
3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458470
N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide
CID 63823781

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide (CID 79586158) is 3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)NCc1cscn1.
What is the InChIKey of 3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide?
The InChIKey is WHASHGXWUFKBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S2/c1-7(2-9)5-15(12,13)11-3-8-4-14-6-10-8/h4,6-7,11H,2-3,5H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide?
3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide has a molecular weight of 268.79 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 79586158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).