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

C10H9ClN8O2S2 — CID 58976364

IUPAC4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1nc(Cl)ns1
InChIInChI=1S/C10H9ClN8O2S2/c11-7-15-10(22-18-7)19-8(12)16-9(17-19)14-5-1-3-6(4-2-5)23(13,20)21/h1-4H,(H2,13,20,21)(H3,12,14,16,17)
InChIKeyLKXLMWDPJMKUJY-UHFFFAOYSA-N
MW372.82 g/mol
LogP0.75
Rot. Bonds4

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

4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide (PubChem CID 58976364) has the molecular formula C10H9ClN8O2S2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
PubChem CID58976364
Molecular FormulaC10H9ClN8O2S2
Molecular Weight372.82 g/mol
Exact Mass372.00
IUPAC Name4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1nc(Cl)ns1
InChIInChI=1S/C10H9ClN8O2S2/c11-7-15-10(22-18-7)19-8(12)16-9(17-19)14-5-1-3-6(4-2-5)23(13,20)21/h1-4H,(H2,13,20,21)(H3,12,14,16,17)
InChIKeyLKXLMWDPJMKUJY-UHFFFAOYSA-N
XLogP0.75
TPSA154.70 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[[5-amino-1-(6-chloropyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(2-piperazin-1-ylethoxy)-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CID 158501118
4-[[5-amino-1-[6-(benzylamino)-5-methylpyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CID 58976127
4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CID 58976569
4-[[5-amino-1-[(E)-3-phenylprop-2-enoyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CID 10134610
3-N-[4-(diethylamino)phenyl]-1-(4-methylsulfonylphenyl)-1,2,4-triazole-3,5-diamine
CID 58976584
4-[[5-amino-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CID 58976922
4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
CID 11688636
[4-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]phenyl]methanol
CID 58976496
1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 176978211
4-[[5-methyl-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891102
4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide
CID 82059643
3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine
CID 58976315

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide (CID 58976364) is 4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide is Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1nc(Cl)ns1.
What is the InChIKey of 4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The InChIKey is LKXLMWDPJMKUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN8O2S2/c11-7-15-10(22-18-7)19-8(12)16-9(17-19)14-5-1-3-6(4-2-5)23(13,20)21/h1-4H,(H2,13,20,21)(H3,12,14,16,17).
What are the key properties of 4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide has a molecular weight of 372.82 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-1-(3-chloro-1,2,4-thiadiazol-5-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 58976364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).