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

C7H12ClN3O2S2 — CID 106262446

IUPAC1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)CCl)s1
InChIInChI=1S/C7H12ClN3O2S2/c1-5(2)3-6-9-10-7(14-6)11-15(12,13)4-8/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyGRQQFILFVAURRT-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.67
Rot. Bonds5

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

1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (PubChem CID 106262446) has the molecular formula C7H12ClN3O2S2 and a molecular weight of 269.78 g/mol. Its IUPAC name is 1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
PubChem CID106262446
Molecular FormulaC7H12ClN3O2S2
Molecular Weight269.78 g/mol
Exact Mass269.01
IUPAC Name1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)CCl)s1
InChIInChI=1S/C7H12ClN3O2S2/c1-5(2)3-6-9-10-7(14-6)11-15(12,13)4-8/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyGRQQFILFVAURRT-UHFFFAOYSA-N
XLogP1.67
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide
CID 106262441
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 697506
2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 19258297
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
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-2-ylethanesulfonamide
CID 106261891
3-amino-5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259695
2-bromo-4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 103740851
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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (CID 106262446) is 1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is CC(C)Cc1nnc(NS(=O)(=O)CCl)s1.
What is the InChIKey of 1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The InChIKey is GRQQFILFVAURRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O2S2/c1-5(2)3-6-9-10-7(14-6)11-15(12,13)4-8/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide has a molecular weight of 269.78 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 106262446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).