4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide

C11H15ClN2O2S — CID 114108611

IUPAC4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide
SMILESCCC1CC1NS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c1-2-7-5-11(7)14-17(15,16)8-3-4-10(13)9(12)6-8/h3-4,6-7,11,14H,2,5,13H2,1H3
InChIKeyXBVFLXAGANHISK-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.00
Rot. Bonds4

About 4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide

4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide (PubChem CID 114108611) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide
PubChem CID114108611
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide
SMILESCCC1CC1NS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c1-2-7-5-11(7)14-17(15,16)8-3-4-10(13)9(12)6-8/h3-4,6-7,11,14H,2,5,13H2,1H3
InChIKeyXBVFLXAGANHISK-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 113288425
4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 115330142
N-(2-ethylcyclopropyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 114108612
N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide
CID 114109831
N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide
CID 114108471
4-amino-3-chloro-N-pentylbenzenesulfonamide
CID 115329349
4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide
CID 115330193
4-amino-3-chloro-N-prop-2-ynylbenzenesulfonamide
CID 115329264
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711169

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide (CID 114108611) is 4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide is CCC1CC1NS(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide?
The InChIKey is XBVFLXAGANHISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-2-7-5-11(7)14-17(15,16)8-3-4-10(13)9(12)6-8/h3-4,6-7,11,14H,2,5,13H2,1H3.
What are the key properties of 4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide?
4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide has a molecular weight of 274.77 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 114108611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).