5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide

C17H14ClNO5S2 — CID 90612336

IUPAC5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C(=O)c2ccco2)s1
InChIInChI=1S/C17H14ClNO5S2/c1-23-13-6-4-11(18)9-16(13)26(21,22)19-10-12-5-7-15(25-12)17(20)14-3-2-8-24-14/h2-9,19H,10H2,1H3
InChIKeyLDLLXBDOMIGOIR-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.71
Rot. Bonds7

About 5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide

5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 90612336) has the molecular formula C17H14ClNO5S2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
PubChem CID90612336
Molecular FormulaC17H14ClNO5S2
Molecular Weight411.89 g/mol
Exact Mass411.00
IUPAC Name5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C(=O)c2ccco2)s1
InChIInChI=1S/C17H14ClNO5S2/c1-23-13-6-4-11(18)9-16(13)26(21,22)19-10-12-5-7-15(25-12)17(20)14-3-2-8-24-14/h2-9,19H,10H2,1H3
InChIKeyLDLLXBDOMIGOIR-UHFFFAOYSA-N
XLogP3.71
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612294
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide
CID 90612314
N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide
CID 90613047
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide
CID 5017100
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
5-chloro-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3794261
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide
CID 112994958
5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide
CID 119103357

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide (CID 90612336) is 5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C(=O)c2ccco2)s1.
What is the InChIKey of 5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is LDLLXBDOMIGOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO5S2/c1-23-13-6-4-11(18)9-16(13)26(21,22)19-10-12-5-7-15(25-12)17(20)14-3-2-8-24-14/h2-9,19H,10H2,1H3.
What are the key properties of 5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 411.89 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 90612336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).