5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide

C14H24ClN3O2S — CID 106032746

IUPAC5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
SMILESCCNCc1cc(Cl)cc(S(=O)(=O)NCCN(C)C)c1C
InChIInChI=1S/C14H24ClN3O2S/c1-5-16-10-12-8-13(15)9-14(11(12)2)21(19,20)17-6-7-18(3)4/h8-9,16-17H,5-7,10H2,1-4H3
InChIKeyQFVJTCKOSTYZRK-UHFFFAOYSA-N
MW333.89 g/mol
LogP1.60
Rot. Bonds8

About 5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide

5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide (PubChem CID 106032746) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
PubChem CID106032746
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
SMILESCCNCc1cc(Cl)cc(S(=O)(=O)NCCN(C)C)c1C
InChIInChI=1S/C14H24ClN3O2S/c1-5-16-10-12-8-13(15)9-14(11(12)2)21(19,20)17-6-7-18(3)4/h8-9,16-17H,5-7,10H2,1-4H3
InChIKeyQFVJTCKOSTYZRK-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885173
3-(aminomethyl)-5-chloro-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032749
5-chloro-N-(2,2-difluoroethyl)-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885091
5-chloro-3-(ethylaminomethyl)-2-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 82885354
5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 82885171
N-butan-2-yl-5-chloro-3-(ethylaminomethyl)-N,2-dimethylbenzenesulfonamide
CID 82878757
5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82879252
N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide
CID 106032666
N-butyl-5-chloro-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891312
5-chloro-3-(ethylaminomethyl)-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 106059219
3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
CID 110758543
5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide
CID 82885254

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide (CID 106032746) is 5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide is CCNCc1cc(Cl)cc(S(=O)(=O)NCCN(C)C)c1C.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide?
The InChIKey is QFVJTCKOSTYZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2S/c1-5-16-10-12-8-13(15)9-14(11(12)2)21(19,20)17-6-7-18(3)4/h8-9,16-17H,5-7,10H2,1-4H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide?
5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide has a molecular weight of 333.89 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106032746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).