4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide

C12H12ClNO3S — CID 8817386

IUPAC4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C12H12ClNO3S/c1-9(12-3-2-8-17-12)14-18(15,16)11-6-4-10(13)5-7-11/h2-9,14H,1H3/t9-/m0/s1
InChIKeyNBJGZJLNQLJLJH-VIFPVBQESA-N
MW285.75 g/mol
LogP2.97
Rot. Bonds4

About 4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide

4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 8817386) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID8817386
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C12H12ClNO3S/c1-9(12-3-2-8-17-12)14-18(15,16)11-6-4-10(13)5-7-11/h2-9,14H,1H3/t9-/m0/s1
InChIKeyNBJGZJLNQLJLJH-VIFPVBQESA-N
XLogP2.97
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817807
4-(2-chloroethyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 107858812
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 62147659
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817589
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
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 9482091
4-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]benzenesulfonamide
CID 11726725
N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110731592
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide (CID 8817386) is 4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is NBJGZJLNQLJLJH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-9(12-3-2-8-17-12)14-18(15,16)11-6-4-10(13)5-7-11/h2-9,14H,1H3/t9-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 285.75 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 8817386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).