5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide

C13H19ClN2O2S — CID 43598652

IUPAC5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCCNC1CC1
InChIInChI=1S/C13H19ClN2O2S/c1-10-3-4-11(14)9-13(10)19(17,18)16-8-2-7-15-12-5-6-12/h3-4,9,12,15-16H,2,5-8H2,1H3
InChIKeyZTEDHNPDWBAVJE-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.07
Rot. Bonds7

About 5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide

5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide (PubChem CID 43598652) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
PubChem CID43598652
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCCNC1CC1
InChIInChI=1S/C13H19ClN2O2S/c1-10-3-4-11(14)9-13(10)19(17,18)16-8-2-7-15-12-5-6-12/h3-4,9,12,15-16H,2,5-8H2,1H3
InChIKeyZTEDHNPDWBAVJE-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.07
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

3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598659
N-[3-(cyclopropylamino)propyl]-3-fluoro-4-methylbenzenesulfonamide
CID 43598658
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzenesulfonamide
CID 62665519
5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide
CID 55603646
5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 55100686
N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106031181
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173227
5-chloro-2-methyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16890954
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide
CID 39624570
4-[3-(cyclopropylamino)propylsulfamoyl]-3-fluorobenzoic acid
CID 79177684

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide (CID 43598652) is 5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCCCNC1CC1.
What is the InChIKey of 5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide?
The InChIKey is ZTEDHNPDWBAVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-10-3-4-11(14)9-13(10)19(17,18)16-8-2-7-15-12-5-6-12/h3-4,9,12,15-16H,2,5-8H2,1H3.
What are the key properties of 5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide?
5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 43598652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).