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

C16H10Cl3N7O2S — CID 24803291

IUPAC3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cnc1-c1nncn1-c1ccn[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl3N7O2S/c17-9-5-13(25-29(27,28)10-1-2-11(18)12(19)6-10)15(20-7-9)16-24-22-8-26(16)14-3-4-21-23-14/h1-8,25H,(H,21,23)
InChIKeyXQQNPZZMXRJVDN-UHFFFAOYSA-N
MW470.73 g/mol
LogP3.81
Rot. Bonds5

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

3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 24803291) has the molecular formula C16H10Cl3N7O2S and a molecular weight of 470.73 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID24803291
Molecular FormulaC16H10Cl3N7O2S
Molecular Weight470.73 g/mol
Exact Mass468.97
IUPAC Name3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cnc1-c1nncn1-c1ccn[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl3N7O2S/c17-9-5-13(25-29(27,28)10-1-2-11(18)12(19)6-10)15(20-7-9)16-24-22-8-26(16)14-3-4-21-23-14/h1-8,25H,(H,21,23)
InChIKeyXQQNPZZMXRJVDN-UHFFFAOYSA-N
XLogP3.81
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.73
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

SGK1 inhibitor
CID 71536970
2,3-dichloro-N-[2-fluoro-4-(1H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537260
N-[4-(3-amino-1H-pyrazolo[3,4-b]pyrazin-6-yl)-2-fluorophenyl]-2,3-dichlorobenzenesulfonamide
CID 71537541
2,3-Dichloro-N-[4-(3-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537543
3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-pyridinyl]benzenesulfonamide
CID 15604497
US9718825, Example 39
CID 136213071
N-[(2S)-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-1-methylpyrazolo[4,5-d]pyrimidin-7-amine
CID 172445826
3,4-dichloro-N'-(3-pyrrol-1-yl-2-pyridinyl)benzenesulfonohydrazide
CID 2740727
4-Chloro-N-[5-chloro-2-(4-(4-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 24802775
4-chloro-N-[5-chloro-2-[5-(methoxymethyl)-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 24803120
4-chloro-N-[5-chloro-2-[5-cyclopropyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 24803288
4-chloro-N-[5-chloro-2-[5-propan-2-yl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 24803289

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide (CID 24803291) is 3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(Cl)cnc1-c1nncn1-c1ccn[nH]1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is XQQNPZZMXRJVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3N7O2S/c17-9-5-13(25-29(27,28)10-1-2-11(18)12(19)6-10)15(20-7-9)16-24-22-8-26(16)14-3-4-21-23-14/h1-8,25H,(H,21,23).
What are the key properties of 3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide?
3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 470.73 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-chloro-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 24803291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).