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

C12H13ClN2O4S — CID 106048091

IUPAC5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(CN)o2)cc1Cl
InChIInChI=1S/C12H13ClN2O4S/c1-18-11-4-2-8(6-10(11)13)15-20(16,17)12-5-3-9(7-14)19-12/h2-6,15H,7,14H2,1H3
InChIKeyFQKGAVLVTJVARQ-UHFFFAOYSA-N
MW316.77 g/mol
LogP2.20
Rot. Bonds5

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

5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide (PubChem CID 106048091) has the molecular formula C12H13ClN2O4S and a molecular weight of 316.77 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide
PubChem CID106048091
Molecular FormulaC12H13ClN2O4S
Molecular Weight316.77 g/mol
Exact Mass316.03
IUPAC Name5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(CN)o2)cc1Cl
InChIInChI=1S/C12H13ClN2O4S/c1-18-11-4-2-8(6-10(11)13)15-20(16,17)12-5-3-9(7-14)19-12/h2-6,15H,7,14H2,1H3
InChIKeyFQKGAVLVTJVARQ-UHFFFAOYSA-N
XLogP2.20
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide
CID 106048012
5-(aminomethyl)-N-(4-chloro-2-methoxy-5-methylphenyl)furan-2-sulfonamide
CID 106056911
N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087765
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide
CID 106048197
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)furan-2-sulfonamide
CID 106059570
5-(aminomethyl)-N-(3-fluorophenyl)furan-2-sulfonamide
CID 106060640
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide
CID 106030486
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
5-(aminomethyl)-N-(5-bromo-2-chlorophenyl)furan-2-sulfonamide
CID 106056693

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide (CID 106048091) is 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(CN)o2)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide?
The InChIKey is FQKGAVLVTJVARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S/c1-18-11-4-2-8(6-10(11)13)15-20(16,17)12-5-3-9(7-14)19-12/h2-6,15H,7,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide?
5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide has a molecular weight of 316.77 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide is sourced from PubChem (CID 106048091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).