2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide

C8H14ClN3O2S2 — CID 106262441

IUPAC2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)CCCl)s1
InChIInChI=1S/C8H14ClN3O2S2/c1-6(2)5-7-10-11-8(15-7)12-16(13,14)4-3-9/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyGCBMLXIUVYPWHQ-UHFFFAOYSA-N
MW283.81 g/mol
LogP1.72
Rot. Bonds6

About 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide

2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide (PubChem CID 106262441) has the molecular formula C8H14ClN3O2S2 and a molecular weight of 283.81 g/mol. Its IUPAC name is 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide
PubChem CID106262441
Molecular FormulaC8H14ClN3O2S2
Molecular Weight283.81 g/mol
Exact Mass283.02
IUPAC Name2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)CCCl)s1
InChIInChI=1S/C8H14ClN3O2S2/c1-6(2)5-7-10-11-8(15-7)12-16(13,14)4-3-9/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyGCBMLXIUVYPWHQ-UHFFFAOYSA-N
XLogP1.72
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 106262446
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide
CID 106261891
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 697506
3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid
CID 106260239
4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106261423
2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 19258297
3-chloro-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106260360
N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
4-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 103740834
2-methyl-2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106261041
3-amino-5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259695
3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 20983490

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide (CID 106262441) is 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide is CC(C)Cc1nnc(NS(=O)(=O)CCCl)s1.
What is the InChIKey of 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide?
The InChIKey is GCBMLXIUVYPWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2S2/c1-6(2)5-7-10-11-8(15-7)12-16(13,14)4-3-9/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide?
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide has a molecular weight of 283.81 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide is sourced from PubChem (CID 106262441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).