N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine

C19H23N3O2S — CID 175122720

IUPACN,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine
SMILESCc1ccc(S(=O)(=O)n2ncc3cc(CC(C)N(C)C)ccc32)cc1
InChIInChI=1S/C19H23N3O2S/c1-14-5-8-18(9-6-14)25(23,24)22-19-10-7-16(11-15(2)21(3)4)12-17(19)13-20-22/h5-10,12-13,15H,11H2,1-4H3
InChIKeyOQOSNFZKQVPOCV-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.07
Rot. Bonds5

About N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine

N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine (PubChem CID 175122720) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine
PubChem CID175122720
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine
SMILESCc1ccc(S(=O)(=O)n2ncc3cc(CC(C)N(C)C)ccc32)cc1
InChIInChI=1S/C19H23N3O2S/c1-14-5-8-18(9-6-14)25(23,24)22-19-10-7-16(11-15(2)21(3)4)12-17(19)13-20-22/h5-10,12-13,15H,11H2,1-4H3
InChIKeyOQOSNFZKQVPOCV-UHFFFAOYSA-N
XLogP3.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine?
The IUPAC name of N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine (CID 175122720) is N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine?
The canonical SMILES for N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine is Cc1ccc(S(=O)(=O)n2ncc3cc(CC(C)N(C)C)ccc32)cc1.
What is the InChIKey of N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine?
The InChIKey is OQOSNFZKQVPOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-5-8-18(9-6-14)25(23,24)22-19-10-7-16(11-15(2)21(3)4)12-17(19)13-20-22/h5-10,12-13,15H,11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine?
N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine has a molecular weight of 357.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(4-methylphenyl)sulfonylindazol-5-yl]propan-2-amine is sourced from PubChem (CID 175122720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).