N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide

C19H21N3O3S — CID 110666787

IUPACN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=C1NCCCN1c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H21N3O3S/c23-19-20-11-2-12-22(19)17-8-6-16(7-9-17)21-26(24,25)18-10-5-14-3-1-4-15(14)13-18/h5-10,13,21H,1-4,11-12H2,(H,20,23)
InChIKeyZMXXPFGDIDVSBQ-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.90
Rot. Bonds4

About N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 110666787) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID110666787
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=C1NCCCN1c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H21N3O3S/c23-19-20-11-2-12-22(19)17-8-6-16(7-9-17)21-26(24,25)18-10-5-14-3-1-4-15(14)13-18/h5-10,13,21H,1-4,11-12H2,(H,20,23)
InChIKeyZMXXPFGDIDVSBQ-UHFFFAOYSA-N
XLogP2.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873996
4-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 46680409
N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110867693
4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873999
2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
CID 110666784
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane
CID 110666756
5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide
CID 110666773
N-(1H-inden-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 149348973
N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7636293
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7635947
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26540045

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 110666787) is N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=C1NCCCN1c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is ZMXXPFGDIDVSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-19-20-11-2-12-22(19)17-8-6-16(7-9-17)21-26(24,25)18-10-5-14-3-1-4-15(14)13-18/h5-10,13,21H,1-4,11-12H2,(H,20,23).
What are the key properties of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 110666787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).