(1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene

C10H12Cl2N2O3S — CID 99842404

IUPAC(1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene
SMILESCN([C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)S(N)(=O)=O
InChIInChI=1S/C10H12Cl2N2O3S/c1-14(18(13,16)17)10-7-2-5(11)3-8(12)6(7)4-9(10)15/h2-3,9-10,15H,4H2,1H3,(H2,13,16,17)/t9-,10-/m0/s1
InChIKeyXTLHHPSYAAHSIM-UWVGGRQHSA-N
MW311.19 g/mol
LogP1.09
Rot. Bonds2

About (1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene

(1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene (PubChem CID 99842404) has the molecular formula C10H12Cl2N2O3S and a molecular weight of 311.19 g/mol. Its IUPAC name is (1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene
PubChem CID99842404
Molecular FormulaC10H12Cl2N2O3S
Molecular Weight311.19 g/mol
Exact Mass309.99
IUPAC Name(1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene
SMILESCN([C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)S(N)(=O)=O
InChIInChI=1S/C10H12Cl2N2O3S/c1-14(18(13,16)17)10-7-2-5(11)3-8(12)6(7)4-9(10)15/h2-3,9-10,15H,4H2,1H3,(H2,13,16,17)/t9-,10-/m0/s1
InChIKeyXTLHHPSYAAHSIM-UWVGGRQHSA-N
XLogP1.09
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]propyl]methanesulfonamide
CID 95151522
2-[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetonitrile
CID 94444869
4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 112841472
N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide
CID 99830769
(1R,2S)-4,6-dichloro-1-[2-(1,3-dioxolan-2-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-2-ol
CID 99604371
4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
CID 112841448
4-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]butanenitrile
CID 124802998
2-[[(1R,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-prop-2-ynylacetamide
CID 124732456
N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 119035230
N-[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 99795247
N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide
CID 99830756
N-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 112841445

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene?
The IUPAC name of (1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene (CID 99842404) is (1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene?
The canonical SMILES for (1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene is CN([C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)S(N)(=O)=O.
What is the InChIKey of (1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene?
The InChIKey is XTLHHPSYAAHSIM-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3S/c1-14(18(13,16)17)10-7-2-5(11)3-8(12)6(7)4-9(10)15/h2-3,9-10,15H,4H2,1H3,(H2,13,16,17)/t9-,10-/m0/s1.
What are the key properties of (1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene?
(1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene has a molecular weight of 311.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene is sourced from PubChem (CID 99842404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).