4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

C14H18N2O3S — CID 61426919

IUPAC4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)N(C)Cc1ccoc1C
InChIInChI=1S/C14H18N2O3S/c1-10-8-13(15)4-5-14(10)20(17,18)16(3)9-12-6-7-19-11(12)2/h4-8H,9,15H2,1-3H3
InChIKeyZZPOAXOHLHSRHK-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.30
Rot. Bonds4

About 4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (PubChem CID 61426919) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
PubChem CID61426919
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)N(C)Cc1ccoc1C
InChIInChI=1S/C14H18N2O3S/c1-10-8-13(15)4-5-14(10)20(17,18)16(3)9-12-6-7-19-11(12)2/h4-8H,9,15H2,1-3H3
InChIKeyZZPOAXOHLHSRHK-UHFFFAOYSA-N
XLogP2.30
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N,2,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426713
3-amino-2,4-difluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 107343380
5-amino-3-chloro-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426187
4-amino-N-[(2-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125375
5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387662
4-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 61426476
2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 106491612
3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426284
3-amino-1-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-4-sulfonamide
CID 61426376
2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387654
5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 79931229
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (CID 61426919) is 4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)N(C)Cc1ccoc1C.
What is the InChIKey of 4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The InChIKey is ZZPOAXOHLHSRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-8-13(15)4-5-14(10)20(17,18)16(3)9-12-6-7-19-11(12)2/h4-8H,9,15H2,1-3H3.
What are the key properties of 4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61426919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).