4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide

C15H21N3O3S — CID 138997186

IUPAC4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(C(=O)c2cccc3c2CCC3)CC1
InChIInChI=1S/C15H21N3O3S/c1-16-22(20,21)18-10-8-17(9-11-18)15(19)14-7-3-5-12-4-2-6-13(12)14/h3,5,7,16H,2,4,6,8-11H2,1H3
InChIKeyORGHPGJNVXHTPV-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.40
Rot. Bonds3

About 4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide

4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide (PubChem CID 138997186) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide
PubChem CID138997186
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(C(=O)c2cccc3c2CCC3)CC1
InChIInChI=1S/C15H21N3O3S/c1-16-22(20,21)18-10-8-17(9-11-18)15(19)14-7-3-5-12-4-2-6-13(12)14/h3,5,7,16H,2,4,6,8-11H2,1H3
InChIKeyORGHPGJNVXHTPV-UHFFFAOYSA-N
XLogP0.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidine-4-sulfonamide
CID 136545712
2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone
CID 119564206
(3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610702
(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
CID 136545688
4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile
CID 127281932
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide
CID 146124672
2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128992767
2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
CID 128883392
(3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 129469474
(2R,3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122114525
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104557845

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide (CID 138997186) is 4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide is CNS(=O)(=O)N1CCN(C(=O)c2cccc3c2CCC3)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide?
The InChIKey is ORGHPGJNVXHTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-16-22(20,21)18-10-8-17(9-11-18)15(19)14-7-3-5-12-4-2-6-13(12)14/h3,5,7,16H,2,4,6,8-11H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide?
4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 138997186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).