N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide

C14H17NO3S — CID 8817485

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)c2ccco2)cc1C
InChIInChI=1S/C14H17NO3S/c1-10-6-7-13(9-11(10)2)19(16,17)15-12(3)14-5-4-8-18-14/h4-9,12,15H,1-3H3/t12-/m0/s1
InChIKeyBWZQKVAUESWCBQ-LBPRGKRZSA-N
MW279.36 g/mol
LogP2.94
Rot. Bonds4

About N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide

N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 8817485) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
PubChem CID8817485
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)c2ccco2)cc1C
InChIInChI=1S/C14H17NO3S/c1-10-6-7-13(9-11(10)2)19(16,17)15-12(3)14-5-4-8-18-14/h4-9,12,15H,1-3H3/t12-/m0/s1
InChIKeyBWZQKVAUESWCBQ-LBPRGKRZSA-N
XLogP2.94
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817807
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
3-amino-4-fluoro-N-[1-(furan-2-yl)ethyl]-5-methylbenzenesulfonamide
CID 115421239
N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110731592
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421881
N-[5-[[(1R)-1-(furan-2-yl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8817620
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 62147659
N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 43535866
3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 43535569
N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110731612

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide (CID 8817485) is N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccco2)cc1C.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is BWZQKVAUESWCBQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-10-6-7-13(9-11(10)2)19(16,17)15-12(3)14-5-4-8-18-14/h4-9,12,15H,1-3H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 8817485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).