2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide

C13H13ClN2O4S — CID 50894441

IUPAC2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O4S/c14-10-3-5-12(6-4-10)21(18,19)16(9-13(15)17)8-11-2-1-7-20-11/h1-7H,8-9H2,(H2,15,17)
InChIKeyJHGVYGYQDNOGNI-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.61
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide

2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide (PubChem CID 50894441) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
PubChem CID50894441
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O4S/c14-10-3-5-12(6-4-10)21(18,19)16(9-13(15)17)8-11-2-1-7-20-11/h1-7H,8-9H2,(H2,15,17)
InChIKeyJHGVYGYQDNOGNI-UHFFFAOYSA-N
XLogP1.61
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
CID 50894442
4-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]butanoic acid
CID 50894510
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42971231
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
CID 2193098
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084748
4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide
CID 69466339
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
CID 1247881
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1315730
methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
CID 50894270
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 24653292

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide (CID 50894441) is 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide is NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
The InChIKey is JHGVYGYQDNOGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c14-10-3-5-12(6-4-10)21(18,19)16(9-13(15)17)8-11-2-1-7-20-11/h1-7H,8-9H2,(H2,15,17).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide has a molecular weight of 328.78 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 50894441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).