1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide

C16H15Cl2NO2S — CID 56581813

IUPAC1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC1CCc2ccccc21
InChIInChI=1S/C16H15Cl2NO2S/c17-14-7-5-11(9-15(14)18)10-22(20,21)19-16-8-6-12-3-1-2-4-13(12)16/h1-5,7,9,16,19H,6,8,10H2
InChIKeyMZGQWSKVNMOBSI-UHFFFAOYSA-N
MW356.27 g/mol
LogP4.10
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide

1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide (PubChem CID 56581813) has the molecular formula C16H15Cl2NO2S and a molecular weight of 356.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
PubChem CID56581813
Molecular FormulaC16H15Cl2NO2S
Molecular Weight356.27 g/mol
Exact Mass355.02
IUPAC Name1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC1CCc2ccccc21
InChIInChI=1S/C16H15Cl2NO2S/c17-14-7-5-11(9-15(14)18)10-22(20,21)19-16-8-6-12-3-1-2-4-13(12)16/h1-5,7,9,16,19H,6,8,10H2
InChIKeyMZGQWSKVNMOBSI-UHFFFAOYSA-N
XLogP4.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43906029
1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43885248
1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 92679624
3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
CID 43654489
1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide
CID 100511167
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide
CID 95762243
N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56581910
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
5-bromo-6-[(3,4-dichlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63470691
N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 83235273
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
2-[(3,4-dichlorophenyl)methylsulfonyl]-3-methyl-1,3,4,5-tetrahydro-2-benzazepine
CID 90833014

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide (CID 56581813) is 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC1CCc2ccccc21.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide?
The InChIKey is MZGQWSKVNMOBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S/c17-14-7-5-11(9-15(14)18)10-22(20,21)19-16-8-6-12-3-1-2-4-13(12)16/h1-5,7,9,16,19H,6,8,10H2.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide?
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide has a molecular weight of 356.27 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide is sourced from PubChem (CID 56581813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).