3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide

C11H15ClN2O2S — CID 115574935

IUPAC3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide
SMILESC=C(Cl)CNC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15ClN2O2S/c1-8(12)7-14-9(2)10-4-3-5-11(6-10)17(13,15)16/h3-6,9,14H,1,7H2,2H3,(H2,13,15,16)
InChIKeyYGJBUICVGFCQKB-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.74
Rot. Bonds5

About 3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide

3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide (PubChem CID 115574935) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide
PubChem CID115574935
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide
SMILESC=C(Cl)CNC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15ClN2O2S/c1-8(12)7-14-9(2)10-4-3-5-11(6-10)17(13,15)16/h3-6,9,14H,1,7H2,2H3,(H2,13,15,16)
InChIKeyYGJBUICVGFCQKB-UHFFFAOYSA-N
XLogP1.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide
CID 43226387
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine
CID 81372498
4-[1-(3-sulfamoylphenyl)ethylamino]butanoic acid
CID 60782795
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81365572
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 81382108
3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
CID 54913678
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
2-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 81373833
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
3-[1-(2,2-diethoxyethylamino)ethyl]benzenesulfonamide
CID 79537992

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide (CID 115574935) is 3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide is C=C(Cl)CNC(C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide?
The InChIKey is YGJBUICVGFCQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-8(12)7-14-9(2)10-4-3-5-11(6-10)17(13,15)16/h3-6,9,14H,1,7H2,2H3,(H2,13,15,16).
What are the key properties of 3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide?
3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide has a molecular weight of 274.77 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 115574935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).