4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide

C13H14Cl2N2O3S — CID 106037013

IUPAC4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1CN
InChIInChI=1S/C13H14Cl2N2O3S/c1-7-10(6-16)13(8(2)20-7)21(18,19)17-12-5-9(14)3-4-11(12)15/h3-5,17H,6,16H2,1-2H3
InChIKeySJPBTUAYXNPQLF-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.46
Rot. Bonds4

About 4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide

4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide (PubChem CID 106037013) has the molecular formula C13H14Cl2N2O3S and a molecular weight of 349.24 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide
PubChem CID106037013
Molecular FormulaC13H14Cl2N2O3S
Molecular Weight349.24 g/mol
Exact Mass348.01
IUPAC Name4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1CN
InChIInChI=1S/C13H14Cl2N2O3S/c1-7-10(6-16)13(8(2)20-7)21(18,19)17-12-5-9(14)3-4-11(12)15/h3-5,17H,6,16H2,1-2H3
InChIKeySJPBTUAYXNPQLF-UHFFFAOYSA-N
XLogP3.46
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106061164
5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide
CID 106037280
4-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106067063
2-amino-N-(2,5-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452435
N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106037010
4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
CID 106087975
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-4-methylthiophene-3-sulfonamide
CID 106031154
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
4-amino-N-(2,5-dichlorophenyl)thiophene-2-sulfonamide
CID 61299181
3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343077
5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898634

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide (CID 106037013) is 4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide is Cc1oc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is SJPBTUAYXNPQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3S/c1-7-10(6-16)13(8(2)20-7)21(18,19)17-12-5-9(14)3-4-11(12)15/h3-5,17H,6,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide?
4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 349.24 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,5-dichlorophenyl)-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 106037013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).