N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide

C14H16ClNO6S — CID 155945670

IUPACN-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide
SMILESCOCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)C1=COCC1
InChIInChI=1S/C14H16ClNO6S/c1-20-6-7-22-12-3-2-11(15)8-13(12)23(18,19)16-14(17)10-4-5-21-9-10/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChIKeyJFAVVBBIGUPLKC-UHFFFAOYSA-N
MW361.80 g/mol
LogP1.47
Rot. Bonds7

About N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide

N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide (PubChem CID 155945670) has the molecular formula C14H16ClNO6S and a molecular weight of 361.80 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide
PubChem CID155945670
Molecular FormulaC14H16ClNO6S
Molecular Weight361.80 g/mol
Exact Mass361.04
IUPAC NameN-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide
SMILESCOCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)C1=COCC1
InChIInChI=1S/C14H16ClNO6S/c1-20-6-7-22-12-3-2-11(15)8-13(12)23(18,19)16-14(17)10-4-5-21-9-10/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChIKeyJFAVVBBIGUPLKC-UHFFFAOYSA-N
XLogP1.47
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
CID 167798625
2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
CID 155945677
5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide
CID 154755060
N-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 162398078
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
CID 104647311
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide
CID 155949392
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide
CID 155949381
1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 104563243
5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-propylbenzenesulfonamide
CID 5306904
CID 70601990
CID 70601990
1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea
CID 118729548

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide?
The IUPAC name of N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide (CID 155945670) is N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide is COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)C1=COCC1.
What is the InChIKey of N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide?
The InChIKey is JFAVVBBIGUPLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO6S/c1-20-6-7-22-12-3-2-11(15)8-13(12)23(18,19)16-14(17)10-4-5-21-9-10/h2-3,8-9H,4-7H2,1H3,(H,16,17).
What are the key properties of N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide?
N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide has a molecular weight of 361.80 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide is sourced from PubChem (CID 155945670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).