4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide

C18H20ClNO2S — CID 18921501

IUPAC4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCC1Cc2ccccc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c19-17-7-9-18(10-8-17)23(21,22)20-11-3-4-14-12-15-5-1-2-6-16(15)13-14/h1-2,5-10,14,20H,3-4,11-13H2
InChIKeyAOHQZEGMUFXRSH-UHFFFAOYSA-N
MW349.88 g/mol
LogP3.81
Rot. Bonds6

About 4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide

4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide (PubChem CID 18921501) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide
PubChem CID18921501
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCC1Cc2ccccc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c19-17-7-9-18(10-8-17)23(21,22)20-11-3-4-14-12-15-5-1-2-6-16(15)13-14/h1-2,5-10,14,20H,3-4,11-13H2
InChIKeyAOHQZEGMUFXRSH-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 122684210
4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238108
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-chlorophenyl)benzenesulfonamide
CID 162364662
4-chloro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)ethyl]benzenesulfonamide;N'-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethane-1,2-diamine
CID 160816439
4-chloro-N-hex-5-ynylbenzenesulfonamide
CID 103756879
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
N-(3-azidopropyl)-4-chlorobenzenesulfonamide
CID 61342719
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207459

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide (CID 18921501) is 4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide is O=S(=O)(NCCCC1Cc2ccccc2C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide?
The InChIKey is AOHQZEGMUFXRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c19-17-7-9-18(10-8-17)23(21,22)20-11-3-4-14-12-15-5-1-2-6-16(15)13-14/h1-2,5-10,14,20H,3-4,11-13H2.
What are the key properties of 4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide?
4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide has a molecular weight of 349.88 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 18921501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).