2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide

C12H17ClN2O3S — CID 106392649

IUPAC2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide
SMILESC=CCCOCCNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-2-3-8-18-9-7-15-19(16,17)12-10(13)5-4-6-11(12)14/h2,4-6,15H,1,3,7-9,14H2
InChIKeyZLRTWTPYRSBAMK-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.79
Rot. Bonds8

About 2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide

2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide (PubChem CID 106392649) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide
PubChem CID106392649
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide
SMILESC=CCCOCCNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-2-3-8-18-9-7-15-19(16,17)12-10(13)5-4-6-11(12)14/h2,4-6,15H,1,3,7-9,14H2
InChIKeyZLRTWTPYRSBAMK-UHFFFAOYSA-N
XLogP1.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-but-3-enoxyethyl)-5-chloro-4-methylbenzenesulfonamide
CID 106392768
2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 63825304
4-N-(2-but-3-enoxyethyl)benzene-1,4-disulfonamide
CID 103854020
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
3-amino-N-(2-but-3-enoxyethyl)-4-fluorobenzenesulfonamide
CID 106392666
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
1-N-(2-but-3-enoxyethyl)-3-chlorobenzene-1,2-diamine
CID 106394473
2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62842731
5-amino-N-(2-but-3-enoxyethyl)-2,4-difluorobenzenesulfonamide
CID 106392799
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034
N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide
CID 113339035
3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391815

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide (CID 106392649) is 2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide is C=CCCOCCNS(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide?
The InChIKey is ZLRTWTPYRSBAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-2-3-8-18-9-7-15-19(16,17)12-10(13)5-4-6-11(12)14/h2,4-6,15H,1,3,7-9,14H2.
What are the key properties of 2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide?
2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide is sourced from PubChem (CID 106392649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).