4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide

C12H17ClN2O2S — CID 62664447

IUPAC4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCCNC1CC1
InChIInChI=1S/C12H17ClN2O2S/c1-9-8-10(13)2-5-12(9)18(16,17)15-7-6-14-11-3-4-11/h2,5,8,11,14-15H,3-4,6-7H2,1H3
InChIKeyHCBIUUPRXLZSMF-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.68
Rot. Bonds6

About 4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide

4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide (PubChem CID 62664447) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide
PubChem CID62664447
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCCNC1CC1
InChIInChI=1S/C12H17ClN2O2S/c1-9-8-10(13)2-5-12(9)18(16,17)15-7-6-14-11-3-4-11/h2,5,8,11,14-15H,3-4,6-7H2,1H3
InChIKeyHCBIUUPRXLZSMF-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.68
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide (CID 62664447) is 4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)NCCNC1CC1.
What is the InChIKey of 4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is HCBIUUPRXLZSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-9-8-10(13)2-5-12(9)18(16,17)15-7-6-14-11-3-4-11/h2,5,8,11,14-15H,3-4,6-7H2,1H3.
What are the key properties of 4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide?
4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 62664447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).