2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide

C14H15Cl2NO3S — CID 99873228

IUPAC2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C)Cc2ccoc2)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO3S/c1-9-5-14(13(16)7-12(9)15)21(18,19)17-10(2)6-11-3-4-20-8-11/h3-5,7-8,10,17H,6H2,1-2H3/t10-/m0/s1
InChIKeyUIRLFVRSVITMFW-JTQLQIEISA-N
MW348.25 g/mol
LogP3.80
Rot. Bonds5

About 2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide

2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide (PubChem CID 99873228) has the molecular formula C14H15Cl2NO3S and a molecular weight of 348.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide
PubChem CID99873228
Molecular FormulaC14H15Cl2NO3S
Molecular Weight348.25 g/mol
Exact Mass347.01
IUPAC Name2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C)Cc2ccoc2)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO3S/c1-9-5-14(13(16)7-12(9)15)21(18,19)17-10(2)6-11-3-4-20-8-11/h3-5,7-8,10,17H,6H2,1-2H3/t10-/m0/s1
InChIKeyUIRLFVRSVITMFW-JTQLQIEISA-N
XLogP3.80
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 90558451
2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide
CID 121127112
3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide
CID 97030655
2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 74225948
N-[1-(furan-3-yl)propan-2-yl]-1-(3-methylphenyl)methanesulfonamide
CID 121127099
1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide
CID 121127157
2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide
CID 5165118
1-(3-fluorophenyl)-N-[(2R)-1-(furan-3-yl)propan-2-yl]methanesulfonamide
CID 99873201
N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 99873213
4-chloro-2,5-dimethyl-N-octan-2-ylbenzenesulfonamide
CID 19684239
2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide
CID 100723482
N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
CID 47142063

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide (CID 99873228) is 2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)N[C@@H](C)Cc2ccoc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide?
The InChIKey is UIRLFVRSVITMFW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15Cl2NO3S/c1-9-5-14(13(16)7-12(9)15)21(18,19)17-10(2)6-11-3-4-20-8-11/h3-5,7-8,10,17H,6H2,1-2H3/t10-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide has a molecular weight of 348.25 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 99873228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).