3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide

C14H16ClNO4S — CID 97030655

IUPAC3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccoc2)cc1Cl
InChIInChI=1S/C14H16ClNO4S/c1-10(7-11-5-6-20-9-11)16-21(17,18)12-3-4-14(19-2)13(15)8-12/h3-6,8-10,16H,7H2,1-2H3/t10-/m0/s1
InChIKeyLEDDBEBZIRAEJU-JTQLQIEISA-N
MW329.81 g/mol
LogP2.85
Rot. Bonds6

About 3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide

3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide (PubChem CID 97030655) has the molecular formula C14H16ClNO4S and a molecular weight of 329.81 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide
PubChem CID97030655
Molecular FormulaC14H16ClNO4S
Molecular Weight329.81 g/mol
Exact Mass329.05
IUPAC Name3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccoc2)cc1Cl
InChIInChI=1S/C14H16ClNO4S/c1-10(7-11-5-6-20-9-11)16-21(17,18)12-3-4-14(19-2)13(15)8-12/h3-6,8-10,16H,7H2,1-2H3/t10-/m0/s1
InChIKeyLEDDBEBZIRAEJU-JTQLQIEISA-N
XLogP2.85
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-5-methylbenzenesulfonamide
CID 99873228
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 79255139
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol
CID 83172552
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 7354928
2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide
CID 121127112
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159
N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870877
N-[(1S)-1-(4-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560375
3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 103861133
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 94861716

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide (CID 97030655) is 3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccoc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide?
The InChIKey is LEDDBEBZIRAEJU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16ClNO4S/c1-10(7-11-5-6-20-9-11)16-21(17,18)12-3-4-14(19-2)13(15)8-12/h3-6,8-10,16H,7H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide?
3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide has a molecular weight of 329.81 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 97030655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).