5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide

C12H17ClN2O2S — CID 113466280

IUPAC5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide
SMILESC=CCC(C)NS(=O)(=O)c1cc(N)c(Cl)cc1C
InChIInChI=1S/C12H17ClN2O2S/c1-4-5-9(3)15-18(16,17)12-7-11(14)10(13)6-8(12)2/h4,6-7,9,15H,1,5,14H2,2-3H3
InChIKeyJIADYFWJZNCEGK-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.47
Rot. Bonds5

About 5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide

5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide (PubChem CID 113466280) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide
PubChem CID113466280
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide
SMILESC=CCC(C)NS(=O)(=O)c1cc(N)c(Cl)cc1C
InChIInChI=1S/C12H17ClN2O2S/c1-4-5-9(3)15-18(16,17)12-7-11(14)10(13)6-8(12)2/h4,6-7,9,15H,1,5,14H2,2-3H3
InChIKeyJIADYFWJZNCEGK-UHFFFAOYSA-N
XLogP2.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide
CID 114380177
4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466272
4-amino-2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466265
1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea
CID 116645848
5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide
CID 106233651
5-amino-4-bromo-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 114626035
5-amino-4-chloro-N-(2-methoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 104758539
4-amino-2,5-dichloro-N-propan-2-ylbenzenesulfonamide
CID 57320385
3-[2-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108751
5-amino-4-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzenesulfonamide
CID 107864496
4-chloro-2,5-dimethyl-N-octan-2-ylbenzenesulfonamide
CID 19684239
5-amino-4-chloro-2-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 83013462

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide?
The IUPAC name of 5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide (CID 113466280) is 5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide is C=CCC(C)NS(=O)(=O)c1cc(N)c(Cl)cc1C.
What is the InChIKey of 5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide?
The InChIKey is JIADYFWJZNCEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-4-5-9(3)15-18(16,17)12-7-11(14)10(13)6-8(12)2/h4,6-7,9,15H,1,5,14H2,2-3H3.
What are the key properties of 5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide?
5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide is sourced from PubChem (CID 113466280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).