3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide

C13H17ClN4O2S2 — CID 133335354

IUPAC3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESCC(C)c1nsc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H17ClN4O2S2/c1-9(2)12-17-13(21-18-12)15-6-7-16-22(19,20)11-5-3-4-10(14)8-11/h3-5,8-9,16H,6-7H2,1-2H3,(H,15,17,18)
InChIKeyDSGCHPNVXJULTA-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.71
Rot. Bonds7

About 3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide

3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (PubChem CID 133335354) has the molecular formula C13H17ClN4O2S2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
PubChem CID133335354
Molecular FormulaC13H17ClN4O2S2
Molecular Weight360.89 g/mol
Exact Mass360.05
IUPAC Name3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESCC(C)c1nsc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H17ClN4O2S2/c1-9(2)12-17-13(21-18-12)15-6-7-16-22(19,20)11-5-3-4-10(14)8-11/h3-5,8-9,16H,6-7H2,1-2H3,(H,15,17,18)
InChIKeyDSGCHPNVXJULTA-UHFFFAOYSA-N
XLogP2.71
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
CID 133335037
3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
CID 75441285
2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 133473051
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 121075572
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 56558319
N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107320621
3-chloro-N-pent-3-ynylbenzenesulfonamide
CID 115977985

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (CID 133335354) is 3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is CC(C)c1nsc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is DSGCHPNVXJULTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S2/c1-9(2)12-17-13(21-18-12)15-6-7-16-22(19,20)11-5-3-4-10(14)8-11/h3-5,8-9,16H,6-7H2,1-2H3,(H,15,17,18).
What are the key properties of 3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 360.89 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 133335354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).