5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide

C18H16ClNO4S — CID 119103357

IUPAC5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C18H16ClNO4S/c1-23-17-7-6-16(19)10-18(17)25(21,22)20-11-13-2-4-14(5-3-13)15-8-9-24-12-15/h2-10,12,20H,11H2,1H3
InChIKeyYWOVFRWABONTOR-UHFFFAOYSA-N
MW377.85 g/mol
LogP4.09
Rot. Bonds6

About 5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide

5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 119103357) has the molecular formula C18H16ClNO4S and a molecular weight of 377.85 g/mol. Its IUPAC name is 5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide
PubChem CID119103357
Molecular FormulaC18H16ClNO4S
Molecular Weight377.85 g/mol
Exact Mass377.05
IUPAC Name5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C18H16ClNO4S/c1-23-17-7-6-16(19)10-18(17)25(21,22)20-11-13-2-4-14(5-3-13)15-8-9-24-12-15/h2-10,12,20H,11H2,1H3
InChIKeyYWOVFRWABONTOR-UHFFFAOYSA-N
XLogP4.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
5-chloro-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 4982528
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
CID 121196914
5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide
CID 71798368
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide
CID 5017100
5-chloro-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3794261
N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 119103346

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide (CID 119103357) is 5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-c2ccoc2)cc1.
What is the InChIKey of 5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is YWOVFRWABONTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S/c1-23-17-7-6-16(19)10-18(17)25(21,22)20-11-13-2-4-14(5-3-13)15-8-9-24-12-15/h2-10,12,20H,11H2,1H3.
What are the key properties of 5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 377.85 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 119103357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).