2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

C11H12N4O2S2 — CID 3010785

IUPAC2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESC=CCNc1nnc(-c2ccccc2S(N)(=O)=O)s1
InChIInChI=1S/C11H12N4O2S2/c1-2-7-13-11-15-14-10(18-11)8-5-3-4-6-9(8)19(12,16)17/h2-6H,1,7H2,(H,13,15)(H2,12,16,17)
InChIKeyGJPZRXDSBOIBRB-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.45
Rot. Bonds5

About 2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 3010785) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID3010785
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC Name2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESC=CCNc1nnc(-c2ccccc2S(N)(=O)=O)s1
InChIInChI=1S/C11H12N4O2S2/c1-2-7-13-11-15-14-10(18-11)8-5-3-4-6-9(8)19(12,16)17/h2-6H,1,7H2,(H,13,15)(H2,12,16,17)
InChIKeyGJPZRXDSBOIBRB-UHFFFAOYSA-N
XLogP1.45
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 626230
1,1-dioxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-benzothiazol-3-amine
CID 893505
5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine
CID 332062
Benzenesulfonamide, 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-methyl-
CID 158673
N-ethyl-5-phenyl-1,3,4-thiadiazol-2-amine
CID 802256
2-(5-Amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 3010783
2-[5-(Methylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 3010784
2-[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 3010786
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(phenylsulfonyl)amino]-glycine amide
CID 129825759
N-Ethyl-5-(p-tolyl)-1,3,4-thiadiazol-2-amine
CID 940404
5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine
CID 1945775
1,1-dioxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-benzothiazol-3-amine
CID 76315578

Frequently Asked Questions

What is the IUPAC name of 2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 3010785) is 2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is C=CCNc1nnc(-c2ccccc2S(N)(=O)=O)s1.
What is the InChIKey of 2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is GJPZRXDSBOIBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c1-2-7-13-11-15-14-10(18-11)8-5-3-4-6-9(8)19(12,16)17/h2-6H,1,7H2,(H,13,15)(H2,12,16,17).
What are the key properties of 2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 296.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 3010785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).