3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide

C14H19ClN2O2S — CID 82885435

IUPAC3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1cc(Cl)cc(CN)c1C
InChIInChI=1S/C14H19ClN2O2S/c1-4-6-17(7-5-2)20(18,19)14-9-13(15)8-12(10-16)11(14)3/h4-5,8-9H,1-2,6-7,10,16H2,3H3
InChIKeyQWXKOAGQWCTUTB-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.47
Rot. Bonds7

About 3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide

3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide (PubChem CID 82885435) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
PubChem CID82885435
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1cc(Cl)cc(CN)c1C
InChIInChI=1S/C14H19ClN2O2S/c1-4-6-17(7-5-2)20(18,19)14-9-13(15)8-12(10-16)11(14)3/h4-5,8-9H,1-2,6-7,10,16H2,3H3
InChIKeyQWXKOAGQWCTUTB-UHFFFAOYSA-N
XLogP2.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-N-tert-butyl-5-chloro-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 82879990
3-amino-N-tert-butyl-5-chloro-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 114380029
3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 82885355
5-(aminomethyl)-2-bromo-3-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 114363734
3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82879991
3-(aminomethyl)-5-chloro-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032749
2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 19682221
2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61115685
4-(aminomethyl)-3-chloro-N-prop-2-enyl-N-propylbenzenesulfonamide
CID 107091607
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
CID 82885175
3-(aminomethyl)-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-methylbenzenesulfonamide
CID 106083402

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide (CID 82885435) is 3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide is C=CCN(CC=C)S(=O)(=O)c1cc(Cl)cc(CN)c1C.
What is the InChIKey of 3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide?
The InChIKey is QWXKOAGQWCTUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-4-6-17(7-5-2)20(18,19)14-9-13(15)8-12(10-16)11(14)3/h4-5,8-9H,1-2,6-7,10,16H2,3H3.
What are the key properties of 3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide?
3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide has a molecular weight of 314.84 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 82885435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).