4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide

C12H13ClN2O3S — CID 43535601

IUPAC4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1Cl)c1ccco1
InChIInChI=1S/C12H13ClN2O3S/c1-8(11-3-2-6-18-11)15-19(16,17)12-5-4-9(14)7-10(12)13/h2-8,15H,14H2,1H3
InChIKeyKXZSFUFKHJGGLG-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.55
Rot. Bonds4

About 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide

4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 43535601) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID43535601
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1Cl)c1ccco1
InChIInChI=1S/C12H13ClN2O3S/c1-8(11-3-2-6-18-11)15-19(16,17)12-5-4-9(14)7-10(12)13/h2-8,15H,14H2,1H3
InChIKeyKXZSFUFKHJGGLG-UHFFFAOYSA-N
XLogP2.55
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.55
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

5-amino-N-[1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 43535594
4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125291
5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 43535591
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 43535590
5-amino-2-fluoro-N-[1-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 80645561
2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 64898473
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817589
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 43535392
2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 106491416

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide (CID 43535601) is 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(N)cc1Cl)c1ccco1.
What is the InChIKey of 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is KXZSFUFKHJGGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-8(11-3-2-6-18-11)15-19(16,17)12-5-4-9(14)7-10(12)13/h2-8,15H,14H2,1H3.
What are the key properties of 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 300.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 43535601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).