4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide

C14H24ClN3O2S — CID 106017229

IUPAC4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(C)N(C)C)ccc1Cl
InChIInChI=1S/C14H24ClN3O2S/c1-5-16-10-12-8-13(6-7-14(12)15)21(19,20)17-9-11(2)18(3)4/h6-8,11,16-17H,5,9-10H2,1-4H3
InChIKeyFNJGXASKXSMAAE-UHFFFAOYSA-N
MW333.89 g/mol
LogP1.68
Rot. Bonds8

About 4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide

4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide (PubChem CID 106017229) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide
PubChem CID106017229
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(C)N(C)C)ccc1Cl
InChIInChI=1S/C14H24ClN3O2S/c1-5-16-10-12-8-13(6-7-14(12)15)21(19,20)17-9-11(2)18(3)4/h6-8,11,16-17H,5,9-10H2,1-4H3
InChIKeyFNJGXASKXSMAAE-UHFFFAOYSA-N
XLogP1.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(ethylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064780
4-chloro-N-(3,3-dimethylbutan-2-yl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106079126
3-chloro-4-(ethylaminomethyl)-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077984
3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 107091649
3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 63288638
4-chloro-3-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106013274
2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide
CID 34132352
5-[2-(dimethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 60748903
4-chloro-3-(ethylaminomethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988345
3-(ethylaminomethyl)-4-fluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077953
4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 50876549
4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 106075759

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide (CID 106017229) is 4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide is CCNCc1cc(S(=O)(=O)NCC(C)N(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide?
The InChIKey is FNJGXASKXSMAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2S/c1-5-16-10-12-8-13(6-7-14(12)15)21(19,20)17-9-11(2)18(3)4/h6-8,11,16-17H,5,9-10H2,1-4H3.
What are the key properties of 4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide?
4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide has a molecular weight of 333.89 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106017229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).