4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide

C13H15ClN2O3S — CID 60780224

IUPAC4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2ccc(Cl)o2)cc1
InChIInChI=1S/C13H15ClN2O3S/c1-16(2)20(17,18)12-6-3-10(4-7-12)15-9-11-5-8-13(14)19-11/h3-8,15H,9H2,1-2H3
InChIKeyROSMOGNWQRPXHQ-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.80
Rot. Bonds5

About 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide

4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 60780224) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID60780224
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2ccc(Cl)o2)cc1
InChIInChI=1S/C13H15ClN2O3S/c1-16(2)20(17,18)12-6-3-10(4-7-12)15-9-11-5-8-13(14)19-11/h3-8,15H,9H2,1-2H3
InChIKeyROSMOGNWQRPXHQ-UHFFFAOYSA-N
XLogP2.80
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 168579937
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
2-chloro-N-[(5-chlorofuran-2-yl)methyl]-5-methylsulfonylaniline
CID 60780234
tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate
CID 103818486
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride
CID 86775481
4-[(2-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43425513
4-ethylsulfonyl-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43782384
4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
CID 107320547
2-[4-[(5-chlorofuran-2-yl)methylamino]-N-ethylanilino]ethanol
CID 60932137
4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106125831
N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline
CID 62524394

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 60780224) is 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCc2ccc(Cl)o2)cc1.
What is the InChIKey of 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ROSMOGNWQRPXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-16(2)20(17,18)12-6-3-10(4-7-12)15-9-11-5-8-13(14)19-11/h3-8,15H,9H2,1-2H3.
What are the key properties of 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 314.79 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 60780224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).