2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide

C11H11ClN2O3S — CID 28555278

IUPAC2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C11H11ClN2O3S/c12-8-3-4-11(10(13)6-8)18(15,16)14-7-9-2-1-5-17-9/h1-6,14H,7,13H2
InChIKeyUAKBGVORRPLGRG-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.99
Rot. Bonds4

About 2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide

2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 28555278) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID28555278
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C11H11ClN2O3S/c12-8-3-4-11(10(13)6-8)18(15,16)14-7-9-2-1-5-17-9/h1-6,14H,7,13H2
InChIKeyUAKBGVORRPLGRG-UHFFFAOYSA-N
XLogP1.99
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 103050157
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 61126634
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 80646286
2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903343
5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28718585
2-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970037
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 16781445

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 28555278) is 2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide is Nc1cc(Cl)ccc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is UAKBGVORRPLGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c12-8-3-4-11(10(13)6-8)18(15,16)14-7-9-2-1-5-17-9/h1-6,14H,7,13H2.
What are the key properties of 2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide?
2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 286.74 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 28555278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).