[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium

C12H13ClNO3S+ — CID 9161700

IUPAC[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium
SMILES[NH3+]C[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClNO3S/c13-9-3-5-10(6-4-9)18(15,16)12(8-14)11-2-1-7-17-11/h1-7,12H,8,14H2/p+1/t12-/m0/s1
InChIKeyQANQGFDLCIPOEV-LBPRGKRZSA-O
MW286.76 g/mol
LogP1.69
Rot. Bonds4

About [(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium

[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium (PubChem CID 9161700) has the molecular formula C12H13ClNO3S+ and a molecular weight of 286.76 g/mol. Its IUPAC name is [(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium
PubChem CID9161700
Molecular FormulaC12H13ClNO3S+
Molecular Weight286.76 g/mol
Exact Mass286.03
IUPAC Name[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium
SMILES[NH3+]C[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClNO3S/c13-9-3-5-10(6-4-9)18(15,16)12(8-14)11-2-1-7-17-11/h1-7,12H,8,14H2/p+1/t12-/m0/s1
InChIKeyQANQGFDLCIPOEV-LBPRGKRZSA-O
XLogP1.69
TPSA74.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 41193089
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 7268165
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555075
N'-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 18574088
N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 16829630
[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079056
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 41193078
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 40774983
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]oxamide
CID 40774894
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 26842848
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555078

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium?
The IUPAC name of [(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium (CID 9161700) is [(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium.
What is the SMILES notation for [(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium?
The canonical SMILES for [(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium is [NH3+]C[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium?
The InChIKey is QANQGFDLCIPOEV-LBPRGKRZSA-O. The full InChI is InChI=1S/C12H12ClNO3S/c13-9-3-5-10(6-4-9)18(15,16)12(8-14)11-2-1-7-17-11/h1-7,12H,8,14H2/p+1/t12-/m0/s1.
What are the key properties of [(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium?
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium has a molecular weight of 286.76 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium is sourced from PubChem (CID 9161700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).