3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide

C12H19ClN2O2S — CID 114378688

IUPAC3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C12H19ClN2O2S/c1-4-5-8(2)15-18(16,17)12-7-10(13)6-11(14)9(12)3/h6-8,15H,4-5,14H2,1-3H3
InChIKeyDMVKBUBNJFVCKR-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.70
Rot. Bonds5

About 3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide

3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide (PubChem CID 114378688) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide
PubChem CID114378688
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C12H19ClN2O2S/c1-4-5-8(2)15-18(16,17)12-7-10(13)6-11(14)9(12)3/h6-8,15H,4-5,14H2,1-3H3
InChIKeyDMVKBUBNJFVCKR-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 114379488
3-amino-5-chloro-2-methyl-N-(4-methylsulfinylbutan-2-yl)benzenesulfonamide
CID 114380242
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 114380051
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
2-amino-5-chloro-N-pentan-2-ylbenzenesulfonamide
CID 54888470
3-amino-5-chloro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 114379335
3-amino-5-chloro-N-(1-hydroxypentan-3-yl)-2-methylbenzenesulfonamide
CID 114380250
3-amino-N-heptan-2-yl-2,5-dimethylbenzenesulfonamide
CID 79889741
3-amino-5-bromo-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 114379495
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
3-(aminomethyl)-5-chloro-2-fluoro-N-pentan-2-ylbenzenesulfonamide
CID 106046589

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide (CID 114378688) is 3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1cc(Cl)cc(N)c1C.
What is the InChIKey of 3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is DMVKBUBNJFVCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-4-5-8(2)15-18(16,17)12-7-10(13)6-11(14)9(12)3/h6-8,15H,4-5,14H2,1-3H3.
What are the key properties of 3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide?
3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 114378688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).