4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide

C10H15ClN2O2S2 — CID 43745778

IUPAC4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide
SMILESCSCCCNc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C10H15ClN2O2S2/c1-16-6-2-5-13-10-7-8(17(12,14)15)3-4-9(10)11/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14,15)
InChIKeyJVAPEYBABNRDDG-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.15
Rot. Bonds6

About 4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide

4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide (PubChem CID 43745778) has the molecular formula C10H15ClN2O2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide
PubChem CID43745778
Molecular FormulaC10H15ClN2O2S2
Molecular Weight294.83 g/mol
Exact Mass294.03
IUPAC Name4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide
SMILESCSCCCNc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C10H15ClN2O2S2/c1-16-6-2-5-13-10-7-8(17(12,14)15)3-4-9(10)11/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14,15)
InChIKeyJVAPEYBABNRDDG-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(4-methylsulfanylbutylamino)benzenesulfonamide
CID 113487240
4-(3-methylsulfanylpropylamino)-3-nitrobenzenesulfonamide
CID 67226820
2-chloro-N-(4-methylsulfanylbutyl)-5-nitroaniline
CID 103087579
4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide
CID 43791004
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365
3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide
CID 63687162
2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 112674921
4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide
CID 43745796
4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide
CID 114248401
4-chloro-3-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666623
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide
CID 62763734

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide?
The IUPAC name of 4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide (CID 43745778) is 4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide is CSCCCNc1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide?
The InChIKey is JVAPEYBABNRDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2/c1-16-6-2-5-13-10-7-8(17(12,14)15)3-4-9(10)11/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14,15).
What are the key properties of 4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide?
4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide has a molecular weight of 294.83 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide is sourced from PubChem (CID 43745778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).