4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide

C11H17ClN2O2S2 — CID 63980942

IUPAC4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H17ClN2O2S2/c1-8(7-17-2)6-14-18(15,16)11-4-3-9(13)5-10(11)12/h3-5,8,14H,6-7,13H2,1-2H3
InChIKeyRSBRDDXIZUTLRF-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.20
Rot. Bonds6

About 4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide

4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 63980942) has the molecular formula C11H17ClN2O2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
PubChem CID63980942
Molecular FormulaC11H17ClN2O2S2
Molecular Weight308.86 g/mol
Exact Mass308.04
IUPAC Name4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H17ClN2O2S2/c1-8(7-17-2)6-14-18(15,16)11-4-3-9(13)5-10(11)12/h3-5,8,14H,6-7,13H2,1-2H3
InChIKeyRSBRDDXIZUTLRF-UHFFFAOYSA-N
XLogP2.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63982011
4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569597
4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63981376
3-amino-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzamide
CID 81471363
3-(aminomethyl)-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064905
methyl 3-amino-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoate
CID 63983735
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
5-(aminomethyl)-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064853
4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036761
3-amino-2,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63982653
5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991663
3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide
CID 113469315

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (CID 63980942) is 4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is CSCC(C)CNS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is RSBRDDXIZUTLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2/c1-8(7-17-2)6-14-18(15,16)11-4-3-9(13)5-10(11)12/h3-5,8,14H,6-7,13H2,1-2H3.
What are the key properties of 4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 308.86 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 63980942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).