1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide

C18H20ClNO2S — CID 133188939

IUPAC1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20ClNO2S/c1-13(16-9-8-15-5-3-6-17(15)11-16)20-23(21,22)12-14-4-2-7-18(19)10-14/h2,4,7-11,13,20H,3,5-6,12H2,1H3
InChIKeySSTCBPFGPUZYIV-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.01
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide

1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide (PubChem CID 133188939) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide
PubChem CID133188939
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20ClNO2S/c1-13(16-9-8-15-5-3-6-17(15)11-16)20-23(21,22)12-14-4-2-7-18(19)10-14/h2,4,7-11,13,20H,3,5-6,12H2,1H3
InChIKeySSTCBPFGPUZYIV-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 94501220
1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 92671846
1-(2-fluorophenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 52857415
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide
CID 125078836
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 63508658
1-[2-(3-chlorophenyl)ethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108901376
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 62503763
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(3-nitrophenyl)methanesulfonamide
CID 97088385
1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
CID 92685740
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513401
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 127131113
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide (CID 133188939) is 1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide is CC(NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide?
The InChIKey is SSTCBPFGPUZYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-13(16-9-8-15-5-3-6-17(15)11-16)20-23(21,22)12-14-4-2-7-18(19)10-14/h2,4,7-11,13,20H,3,5-6,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide has a molecular weight of 349.88 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 133188939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).