5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide

C14H19N3O3S — CID 79899789

IUPAC5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
SMILESCc1ccc(CN(C)c2cc(N)cc(S(N)(=O)=O)c2C)o1
InChIInChI=1S/C14H19N3O3S/c1-9-4-5-12(20-9)8-17(3)13-6-11(15)7-14(10(13)2)21(16,18)19/h4-7H,8,15H2,1-3H3,(H2,16,18,19)
InChIKeyOLIGQJDPWDFWIJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.76
Rot. Bonds4

About 5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide

5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide (PubChem CID 79899789) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
PubChem CID79899789
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
SMILESCc1ccc(CN(C)c2cc(N)cc(S(N)(=O)=O)c2C)o1
InChIInChI=1S/C14H19N3O3S/c1-9-4-5-12(20-9)8-17(3)13-6-11(15)7-14(10(13)2)21(16,18)19/h4-7H,8,15H2,1-3H3,(H2,16,18,19)
InChIKeyOLIGQJDPWDFWIJ-UHFFFAOYSA-N
XLogP1.76
TPSA102.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylbenzenesulfonamide
CID 79900394
5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide
CID 79896226
5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide
CID 79905154
3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 43526133
5-amino-3-[2-cyanoethyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79897338
5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide
CID 79896823
5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79895968
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526090
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide
CID 63355837
4-amino-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526057
3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 79885779

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide (CID 79899789) is 5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide is Cc1ccc(CN(C)c2cc(N)cc(S(N)(=O)=O)c2C)o1.
What is the InChIKey of 5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide?
The InChIKey is OLIGQJDPWDFWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-4-5-12(20-9)8-17(3)13-6-11(15)7-14(10(13)2)21(16,18)19/h4-7H,8,15H2,1-3H3,(H2,16,18,19).
What are the key properties of 5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide?
5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide is sourced from PubChem (CID 79899789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).