2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide

C12H17ClN2O2S — CID 61115685

IUPAC2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2S/c1-4-7-15(9(2)3)18(16,17)12-8-10(13)5-6-11(12)14/h4-6,8-9H,1,7,14H2,2-3H3
InChIKeyJAEIEFDQBXRPLY-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.51
Rot. Bonds5

About 2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide

2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide (PubChem CID 61115685) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
PubChem CID61115685
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2S/c1-4-7-15(9(2)3)18(16,17)12-8-10(13)5-6-11(12)14/h4-6,8-9H,1,7,14H2,2-3H3
InChIKeyJAEIEFDQBXRPLY-UHFFFAOYSA-N
XLogP2.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.51
H-Bond Donors ≤ 51
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

2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 106491536
2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116633
3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide
CID 81471424
ethyl 2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]propanoate
CID 11056758
2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113994
2-amino-5-chloro-N-(1-cyanopropan-2-yl)-N-methylbenzenesulfonamide
CID 63225760
3-amino-4,5-dimethyl-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116631
3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116253
2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61111608
3-amino-5-fluoro-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 114625311
3-amino-4-fluoro-5-methyl-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 115421355
2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63401799

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide (CID 61115685) is 2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide is C=CCN(C(C)C)S(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is JAEIEFDQBXRPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-4-7-15(9(2)3)18(16,17)12-8-10(13)5-6-11(12)14/h4-6,8-9H,1,7,14H2,2-3H3.
What are the key properties of 2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide?
2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 61115685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).