N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide

C13H19ClN2O2S — CID 106031181

IUPACN-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C13H19ClN2O2S/c1-10-3-4-11(14)9-13(10)16-19(17,18)8-2-7-15-12-5-6-12/h3-4,9,12,15-16H,2,5-8H2,1H3
InChIKeyPDZMQRBSDWYDMF-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.53
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide

N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide (PubChem CID 106031181) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
PubChem CID106031181
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C13H19ClN2O2S/c1-10-3-4-11(14)9-13(10)16-19(17,18)8-2-7-15-12-5-6-12/h3-4,9,12,15-16H,2,5-8H2,1H3
InChIKeyPDZMQRBSDWYDMF-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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

N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106073353
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
N-(2-bromo-4-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106043185
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106029188
3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
CID 106030688
3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598652
N-(3-bromo-5-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106089298
4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
CID 106071188
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
CID 106060068
N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
CID 112987095

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide (CID 106031181) is N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)CCCNC1CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The InChIKey is PDZMQRBSDWYDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-10-3-4-11(14)9-13(10)16-19(17,18)8-2-7-15-12-5-6-12/h3-4,9,12,15-16H,2,5-8H2,1H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide is sourced from PubChem (CID 106031181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).