2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid

C15H15Cl2N3O4S — CID 44611778

IUPAC2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid
SMILESO=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O4S/c16-9-4-5-14(11(17)6-9)25(23,24)19-12-2-1-3-13-10(12)7-18-20(13)8-15(21)22/h4-7,12,19H,1-3,8H2,(H,21,22)
InChIKeyXMGNMJGZQNZKDU-UHFFFAOYSA-N
MW404.28 g/mol
LogP2.63
Rot. Bonds5

About 2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid

2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid (PubChem CID 44611778) has the molecular formula C15H15Cl2N3O4S and a molecular weight of 404.28 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid
PubChem CID44611778
Molecular FormulaC15H15Cl2N3O4S
Molecular Weight404.28 g/mol
Exact Mass403.02
IUPAC Name2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid
SMILESO=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O4S/c16-9-4-5-14(11(17)6-9)25(23,24)19-12-2-1-3-13-10(12)7-18-20(13)8-15(21)22/h4-7,12,19H,1-3,8H2,(H,21,22)
InChIKeyXMGNMJGZQNZKDU-UHFFFAOYSA-N
XLogP2.63
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid (CID 44611778) is 2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid is O=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid?
The InChIKey is XMGNMJGZQNZKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O4S/c16-9-4-5-14(11(17)6-9)25(23,24)19-12-2-1-3-13-10(12)7-18-20(13)8-15(21)22/h4-7,12,19H,1-3,8H2,(H,21,22).
What are the key properties of 2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid?
2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid has a molecular weight of 404.28 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dichlorophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid is sourced from PubChem (CID 44611778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).