3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide

C13H9Cl3N6O2S — CID 59849996

IUPAC3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cnc1Nc1ncn[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3N6O2S/c14-7-3-11(12(17-5-7)20-13-18-6-19-21-13)22-25(23,24)8-1-2-9(15)10(16)4-8/h1-6,22H,(H2,17,18,19,20,21)
InChIKeyJTGVTLKFATVEIS-UHFFFAOYSA-N
MW419.68 g/mol
LogP3.70
Rot. Bonds5

About 3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide

3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 59849996) has the molecular formula C13H9Cl3N6O2S and a molecular weight of 419.68 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID59849996
Molecular FormulaC13H9Cl3N6O2S
Molecular Weight419.68 g/mol
Exact Mass417.96
IUPAC Name3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cnc1Nc1ncn[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3N6O2S/c14-7-3-11(12(17-5-7)20-13-18-6-19-21-13)22-25(23,24)8-1-2-9(15)10(16)4-8/h1-6,22H,(H2,17,18,19,20,21)
InChIKeyJTGVTLKFATVEIS-UHFFFAOYSA-N
XLogP3.70
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.68
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide
CID 15604497
3,4-dichloro-N'-(3-pyrrol-1-yl-2-pyridinyl)benzenesulfonohydrazide
CID 2740727
4-Chloro-N-{2-methyl-[1,2,4]triazolo[1,5-A]pyridin-8-YL}benzene-1-sulfonamide
CID 53190638
4-Chloro-N-{[1,2,4]triazolo[1,5-A]pyridin-8-YL}benzene-1-sulfonamide
CID 53190707
2-chloro-4-fluoro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide
CID 33817531
3,4-dichloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344423
4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-pyridin-2-ylbenzenesulfonamide
CID 20820288
3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
CID 24803291
N-[2-[4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide
CID 24803454
N-[2-[5-bromo-4-(4-bromo-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide
CID 24803616
N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 68886303
N-[2-[4-(4-bromo-4,5-dihydro-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]-5-chloro-3-pyridinyl]-3,4-dichlorobenzenesulfonamide
CID 88987302

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide (CID 59849996) is 3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(Cl)cnc1Nc1ncn[nH]1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is JTGVTLKFATVEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N6O2S/c14-7-3-11(12(17-5-7)20-13-18-6-19-21-13)22-25(23,24)8-1-2-9(15)10(16)4-8/h1-6,22H,(H2,17,18,19,20,21).
What are the key properties of 3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide?
3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 419.68 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-chloro-2-(1H-1,2,4-triazol-5-ylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59849996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).