5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide

C11H16Cl2N2O2S2 — CID 106077788

IUPAC5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide
SMILESCSC(C)CNS(=O)(=O)c1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2S2/c1-7(18-2)6-15-19(16,17)11-3-8(5-14)9(12)4-10(11)13/h3-4,7,15H,5-6,14H2,1-2H3
InChIKeyXQJXKJSKZAIKGB-UHFFFAOYSA-N
MW343.30 g/mol
LogP2.48
Rot. Bonds6

About 5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide

5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 106077788) has the molecular formula C11H16Cl2N2O2S2 and a molecular weight of 343.30 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide
PubChem CID106077788
Molecular FormulaC11H16Cl2N2O2S2
Molecular Weight343.30 g/mol
Exact Mass342.00
IUPAC Name5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide
SMILESCSC(C)CNS(=O)(=O)c1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2S2/c1-7(18-2)6-15-19(16,17)11-3-8(5-14)9(12)4-10(11)13/h3-4,7,15H,5-6,14H2,1-2H3
InChIKeyXQJXKJSKZAIKGB-UHFFFAOYSA-N
XLogP2.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327509
5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018859
5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide
CID 106058220
5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide
CID 106055367
3-(aminomethyl)-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077662
2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
CID 25252490
3-chloro-4-(ethylaminomethyl)-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077984
3-(aminomethyl)-4,5-dimethoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077681
5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071940
3-(aminomethyl)-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064905
4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102904883
5-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102915813

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide (CID 106077788) is 5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide is CSC(C)CNS(=O)(=O)c1cc(CN)c(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is XQJXKJSKZAIKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S2/c1-7(18-2)6-15-19(16,17)11-3-8(5-14)9(12)4-10(11)13/h3-4,7,15H,5-6,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide?
5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 343.30 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 106077788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).