N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide

C20H25ClN2O2S — CID 110278494

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCN(C)CCC(NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O2S/c1-23(2)13-12-20(16-6-9-18(21)10-7-16)22-26(24,25)19-11-8-15-4-3-5-17(15)14-19/h6-11,14,20,22H,3-5,12-13H2,1-2H3
InChIKeyVKBNULNIEKVXGI-UHFFFAOYSA-N
MW392.95 g/mol
LogP3.80
Rot. Bonds7

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 110278494) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID110278494
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCN(C)CCC(NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O2S/c1-23(2)13-12-20(16-6-9-18(21)10-7-16)22-26(24,25)19-11-8-15-4-3-5-17(15)14-19/h6-11,14,20,22H,3-5,12-13H2,1-2H3
InChIKeyVKBNULNIEKVXGI-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110278495
N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 83179764
N-(1-chloro-3-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 79267831
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 8844550
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide
CID 69449602
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-ylbenzenesulfonamide
CID 69449595
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103833742
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106135464

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 110278494) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide is CN(C)CCC(NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is VKBNULNIEKVXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2S/c1-23(2)13-12-20(16-6-9-18(21)10-7-16)22-26(24,25)19-11-8-15-4-3-5-17(15)14-19/h6-11,14,20,22H,3-5,12-13H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 392.95 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 110278494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).