5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide

C18H19N3O3S — CID 70575607

IUPAC5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide
SMILESCN(c1ccccc1)c1ccc(NCc2ccco2)cc1S(N)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-21(15-6-3-2-4-7-15)17-10-9-14(12-18(17)25(19,22)23)20-13-16-8-5-11-24-16/h2-12,20H,13H2,1H3,(H2,19,22,23)
InChIKeyBBSAPGQRMFRNNE-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.31
Rot. Bonds6

About 5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide

5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide (PubChem CID 70575607) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide
PubChem CID70575607
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide
SMILESCN(c1ccccc1)c1ccc(NCc2ccco2)cc1S(N)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-21(15-6-3-2-4-7-15)17-10-9-14(12-18(17)25(19,22)23)20-13-16-8-5-11-24-16/h2-12,20H,13H2,1H3,(H2,19,22,23)
InChIKeyBBSAPGQRMFRNNE-UHFFFAOYSA-N
XLogP3.31
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-4-N-(furan-2-ylmethyl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679313
2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 80646286
2-bromo-4-(furan-2-ylmethylamino)benzoic acid
CID 107281668
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 54867068
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
CID 68522905
CID 68522905
N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline
CID 61059640
3-amino-4-(N-methylanilino)benzenesulfonamide;propane
CID 144610169
2-methoxyethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 118302031
1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
CID 112981834

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide?
The IUPAC name of 5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide (CID 70575607) is 5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide?
The canonical SMILES for 5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide is CN(c1ccccc1)c1ccc(NCc2ccco2)cc1S(N)(=O)=O.
What is the InChIKey of 5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide?
The InChIKey is BBSAPGQRMFRNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-21(15-6-3-2-4-7-15)17-10-9-14(12-18(17)25(19,22)23)20-13-16-8-5-11-24-16/h2-12,20H,13H2,1H3,(H2,19,22,23).
What are the key properties of 5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide?
5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)-2-(N-methylanilino)benzenesulfonamide is sourced from PubChem (CID 70575607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).