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

C13H19ClN2O2S — CID 43598659

IUPAC3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCCNC1CC1
InChIInChI=1S/C13H19ClN2O2S/c1-10-12(14)4-2-5-13(10)19(17,18)16-9-3-8-15-11-6-7-11/h2,4-5,11,15-16H,3,6-9H2,1H3
InChIKeyTYMDQDBGKCGURN-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.07
Rot. Bonds7

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

3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide (PubChem CID 43598659) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
PubChem CID43598659
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCCNC1CC1
InChIInChI=1S/C13H19ClN2O2S/c1-10-12(14)4-2-5-13(10)19(17,18)16-9-3-8-15-11-6-7-11/h2,4-5,11,15-16H,3,6-9H2,1H3
InChIKeyTYMDQDBGKCGURN-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'}

Analyze 3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-((1-isopropylpiperidin-4-yl)methyl)-2-methylbenzenesulfonamide
CID 16887571
(1S*,6R*)-9-[(3-chloro-2-methylphenyl)sulfonyl]-3,9-diazabicyclo[4.2.1]nonane
CID 50955003
N-(2-aminoethyl)-3-chloro-4-methylbenzenesulfonamide
CID 86780550
N-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide
CID 119050694
3-chloro-5-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 70809039
3-chloro-N-ethyl-5-fluoro-2-methylbenzenesulfonamide
CID 71219008
3-chloro-N-[3-(cyclopropylamino)propyl]-2-fluorobenzenesulfonamide
CID 43598710
3-chloro-N-[3-(cyclopropylamino)propyl]-4-fluorobenzenesulfonamide
CID 43598715
N-[3-(cyclopropylamino)propyl]-4-fluoro-2-methylbenzenesulfonamide
CID 43598740
N-[3-(cyclopropylamino)propyl]-5-fluoro-2-methylbenzenesulfonamide
CID 43598742
4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 43606545
4-chloro-N-[3-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide
CID 43606550

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide (CID 43598659) is 3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCCCNC1CC1.
What is the InChIKey of 3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide?
The InChIKey is TYMDQDBGKCGURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-10-12(14)4-2-5-13(10)19(17,18)16-9-3-8-15-11-6-7-11/h2,4-5,11,15-16H,3,6-9H2,1H3.
What are the key properties of 3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide?
3-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 3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 43598659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).