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

C12H16N4O2S2 — CID 133335037

IUPACN-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESCCc1nsc(NCCNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C12H16N4O2S2/c1-2-11-15-12(19-16-11)13-8-9-14-20(17,18)10-6-4-3-5-7-10/h3-7,14H,2,8-9H2,1H3,(H,13,15,16)
InChIKeyRCVZGECYZSKTIG-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.49
Rot. Bonds7

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

N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (PubChem CID 133335037) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
PubChem CID133335037
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC NameN-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESCCc1nsc(NCCNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C12H16N4O2S2/c1-2-11-15-12(19-16-11)13-8-9-14-20(17,18)10-6-4-3-5-7-10/h3-7,14H,2,8-9H2,1H3,(H,13,15,16)
InChIKeyRCVZGECYZSKTIG-UHFFFAOYSA-N
XLogP1.49
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.49
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-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide
CID 47364182
3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
CID 133335354
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-tridecylbenzenesulfonamide
CID 3514704
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
4-methoxy-N-[3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propyl]benzenesulfonamide
CID 59362047
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133426341
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268704
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373952

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (CID 133335037) is N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is CCc1nsc(NCCNS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is RCVZGECYZSKTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-2-11-15-12(19-16-11)13-8-9-14-20(17,18)10-6-4-3-5-7-10/h3-7,14H,2,8-9H2,1H3,(H,13,15,16).
What are the key properties of N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 133335037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).