5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

C14H16BrNO3S — CID 47387662

IUPAC5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccoc1C
InChIInChI=1S/C14H16BrNO3S/c1-10-4-5-13(15)8-14(10)20(17,18)16(3)9-12-6-7-19-11(12)2/h4-8H,9H2,1-3H3
InChIKeySRASVWBCSHTVNR-UHFFFAOYSA-N
MW358.26 g/mol
LogP3.48
Rot. Bonds4

About 5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (PubChem CID 47387662) has the molecular formula C14H16BrNO3S and a molecular weight of 358.26 g/mol. Its IUPAC name is 5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
PubChem CID47387662
Molecular FormulaC14H16BrNO3S
Molecular Weight358.26 g/mol
Exact Mass357.00
IUPAC Name5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccoc1C
InChIInChI=1S/C14H16BrNO3S/c1-10-4-5-13(15)8-14(10)20(17,18)16(3)9-12-6-7-19-11(12)2/h4-8H,9H2,1-3H3
InChIKeySRASVWBCSHTVNR-UHFFFAOYSA-N
XLogP3.48
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
5-amino-N,2,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426713
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 63420338
4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426919
2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 106491612
5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide
CID 79386697
5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
CID 62334094
2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 30328697
5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61106294
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (CID 47387662) is 5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccoc1C.
What is the InChIKey of 5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The InChIKey is SRASVWBCSHTVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S/c1-10-4-5-13(15)8-14(10)20(17,18)16(3)9-12-6-7-19-11(12)2/h4-8H,9H2,1-3H3.
What are the key properties of 5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide has a molecular weight of 358.26 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 47387662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).