N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide

C13H15ClN2O4S — CID 106087765

IUPACN-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(OC)c2)o1
InChIInChI=1S/C13H15ClN2O4S/c1-15-8-10-4-6-13(20-10)21(17,18)16-9-3-5-11(14)12(7-9)19-2/h3-7,15-16H,8H2,1-2H3
InChIKeyZUOBRYGEVQSXDU-UHFFFAOYSA-N
MW330.79 g/mol
LogP2.46
Rot. Bonds6

About N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide

N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide (PubChem CID 106087765) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
PubChem CID106087765
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC NameN-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(OC)c2)o1
InChIInChI=1S/C13H15ClN2O4S/c1-15-8-10-4-6-13(20-10)21(17,18)16-9-3-5-11(14)12(7-9)19-2/h3-7,15-16H,8H2,1-2H3
InChIKeyZUOBRYGEVQSXDU-UHFFFAOYSA-N
XLogP2.46
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide
CID 106048091
N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003729
N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087933
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide
CID 107620731
N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106070960
5-(methylaminomethyl)-N-thiophen-3-ylfuran-2-sulfonamide
CID 106070081
5-[(4-bromo-3-methoxyanilino)methyl]-N-methylfuran-2-sulfonamide
CID 82859710
3-amino-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 107620734
3-amino-N-(4-chloro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 107620728
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
N-[2-(methoxymethyl)phenyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003230

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide (CID 106087765) is N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide is CNCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(OC)c2)o1.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The InChIKey is ZUOBRYGEVQSXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S/c1-15-8-10-4-6-13(20-10)21(17,18)16-9-3-5-11(14)12(7-9)19-2/h3-7,15-16H,8H2,1-2H3.
What are the key properties of N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide has a molecular weight of 330.79 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106087765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).