5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide

C12H19ClN2O2S — CID 55100686

IUPAC5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCNC(C)C
InChIInChI=1S/C12H19ClN2O2S/c1-9(2)14-6-7-15-18(16,17)12-8-11(13)5-4-10(12)3/h4-5,8-9,14-15H,6-7H2,1-3H3
InChIKeyAWMDWVZVFLIBJE-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.92
Rot. Bonds6

About 5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide

5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 55100686) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID55100686
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCNC(C)C
InChIInChI=1S/C12H19ClN2O2S/c1-9(2)14-6-7-15-18(16,17)12-8-11(13)5-4-10(12)3/h4-5,8-9,14-15H,6-7H2,1-3H3
InChIKeyAWMDWVZVFLIBJE-UHFFFAOYSA-N
XLogP1.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
4-chloro-2-nitro-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62665331
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 34050535
N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63253857
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598652
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887571

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide (CID 55100686) is 5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCCNC(C)C.
What is the InChIKey of 5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is AWMDWVZVFLIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-9(2)14-6-7-15-18(16,17)12-8-11(13)5-4-10(12)3/h4-5,8-9,14-15H,6-7H2,1-3H3.
What are the key properties of 5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 55100686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).