N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide

C18H14ClNO2S — CID 7126086

IUPACN-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@@H]1Cl)c1ccccc1
InChIInChI=1S/C18H14ClNO2S/c19-17-14-10-4-6-12-7-5-11-15(16(12)14)18(17)20-23(21,22)13-8-2-1-3-9-13/h1-11,17-18,20H/t17-,18+/m0/s1
InChIKeyHXTOJBLHWHAHPQ-ZWKOTPCHSA-N
MW343.84 g/mol
LogP4.15
Rot. Bonds3

About N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide

N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide (PubChem CID 7126086) has the molecular formula C18H14ClNO2S and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
PubChem CID7126086
Molecular FormulaC18H14ClNO2S
Molecular Weight343.84 g/mol
Exact Mass343.04
IUPAC NameN-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@@H]1Cl)c1ccccc1
InChIInChI=1S/C18H14ClNO2S/c19-17-14-10-4-6-12-7-5-11-15(16(12)14)18(17)20-23(21,22)13-8-2-1-3-9-13/h1-11,17-18,20H/t17-,18+/m0/s1
InChIKeyHXTOJBLHWHAHPQ-ZWKOTPCHSA-N
XLogP4.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide?
The IUPAC name of N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide (CID 7126086) is N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide?
The canonical SMILES for N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@@H]1Cl)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide?
The InChIKey is HXTOJBLHWHAHPQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H14ClNO2S/c19-17-14-10-4-6-12-7-5-11-15(16(12)14)18(17)20-23(21,22)13-8-2-1-3-9-13/h1-11,17-18,20H/t17-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide?
N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide has a molecular weight of 343.84 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-chloro-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide is sourced from PubChem (CID 7126086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).