N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline

C22H25N3O2S — CID 24743941

IUPACN,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cccc(N(C)C)c3)c3ccccc23)CC1
InChIInChI=1S/C22H25N3O2S/c1-23(2)18-7-6-8-19(15-18)28(26,27)25-16-21(17-11-13-24(3)14-12-17)20-9-4-5-10-22(20)25/h4-11,15-16H,12-14H2,1-3H3
InChIKeyLRXYRRCCMJQFMG-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.66
Rot. Bonds4

About N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline

N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline (PubChem CID 24743941) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline
PubChem CID24743941
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cccc(N(C)C)c3)c3ccccc23)CC1
InChIInChI=1S/C22H25N3O2S/c1-23(2)18-7-6-8-19(15-18)28(26,27)25-16-21(17-11-13-24(3)14-12-17)20-9-4-5-10-22(20)25/h4-11,15-16H,12-14H2,1-3H3
InChIKeyLRXYRRCCMJQFMG-UHFFFAOYSA-N
XLogP3.66
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline?
The IUPAC name of N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline (CID 24743941) is N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline.
What is the SMILES notation for N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline?
The canonical SMILES for N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline is CN1CC=C(c2cn(S(=O)(=O)c3cccc(N(C)C)c3)c3ccccc23)CC1.
What is the InChIKey of N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline?
The InChIKey is LRXYRRCCMJQFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-23(2)18-7-6-8-19(15-18)28(26,27)25-16-21(17-11-13-24(3)14-12-17)20-9-4-5-10-22(20)25/h4-11,15-16H,12-14H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline?
N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline has a molecular weight of 395.53 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline is sourced from PubChem (CID 24743941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).