4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide

C14H16ClNO3S — CID 107858812

IUPAC4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccco1
InChIInChI=1S/C14H16ClNO3S/c1-11(14-3-2-10-19-14)16-20(17,18)13-6-4-12(5-7-13)8-9-15/h2-7,10-11,16H,8-9H2,1H3/t11-/m1/s1
InChIKeyZFHKIVKXVDGDEB-LLVKDONJSA-N
MW313.81 g/mol
LogP3.10
Rot. Bonds6

About 4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide

4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 107858812) has the molecular formula C14H16ClNO3S and a molecular weight of 313.81 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID107858812
Molecular FormulaC14H16ClNO3S
Molecular Weight313.81 g/mol
Exact Mass313.05
IUPAC Name4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccco1
InChIInChI=1S/C14H16ClNO3S/c1-11(14-3-2-10-19-14)16-20(17,18)13-6-4-12(5-7-13)8-9-15/h2-7,10-11,16H,8-9H2,1H3/t11-/m1/s1
InChIKeyZFHKIVKXVDGDEB-LLVKDONJSA-N
XLogP3.10
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 60959654
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 62147659
4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 107858759
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817807
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 8817714
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62147836
N-[(1R)-1-(furan-2-yl)ethyl]ethanesulfonamide
CID 81400303
N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110731592
4-[[(1R)-1-(furan-2-yl)ethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817710

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide (CID 107858812) is 4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccco1.
What is the InChIKey of 4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is ZFHKIVKXVDGDEB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16ClNO3S/c1-11(14-3-2-10-19-14)16-20(17,18)13-6-4-12(5-7-13)8-9-15/h2-7,10-11,16H,8-9H2,1H3/t11-/m1/s1.
What are the key properties of 4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide?
4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 313.81 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 107858812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).