N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide

C13H14Cl2N2O3S — CID 106037010

IUPACN-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(C)o1
InChIInChI=1S/C13H14Cl2N2O3S/c1-8-13(6-10(20-8)7-16-2)21(18,19)17-12-5-9(14)3-4-11(12)15/h3-6,16-17H,7H2,1-2H3
InChIKeyHNKXQAQASJYPKB-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.42
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide

N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide (PubChem CID 106037010) has the molecular formula C13H14Cl2N2O3S and a molecular weight of 349.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
PubChem CID106037010
Molecular FormulaC13H14Cl2N2O3S
Molecular Weight349.24 g/mol
Exact Mass348.01
IUPAC NameN-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(C)o1
InChIInChI=1S/C13H14Cl2N2O3S/c1-8-13(6-10(20-8)7-16-2)21(18,19)17-12-5-9(14)3-4-11(12)15/h3-6,16-17H,7H2,1-2H3
InChIKeyHNKXQAQASJYPKB-UHFFFAOYSA-N
XLogP3.42
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 107522507
5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide
CID 106037280
5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide
CID 107553261
N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106031218
4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106037013
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606052
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106057339
5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide
CID 106006619
N-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106088465
3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343077
2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 80696701

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide (CID 106037010) is N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(C)o1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The InChIKey is HNKXQAQASJYPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3S/c1-8-13(6-10(20-8)7-16-2)21(18,19)17-12-5-9(14)3-4-11(12)15/h3-6,16-17H,7H2,1-2H3.
What are the key properties of N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide has a molecular weight of 349.24 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106037010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).