N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide

C12H19ClN2O2S — CID 114141241

IUPACN-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-2-8-14-9-5-10-18(16,17)15-12-7-4-3-6-11(12)13/h3-4,6-7,14-15H,2,5,8-10H2,1H3
InChIKeyRJEDVGVZBSIXNY-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.47
Rot. Bonds8

About N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide

N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide (PubChem CID 114141241) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide
PubChem CID114141241
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC NameN-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-2-8-14-9-5-10-18(16,17)15-12-7-4-3-6-11(12)13/h3-4,6-7,14-15H,2,5,8-10H2,1H3
InChIKeyRJEDVGVZBSIXNY-UHFFFAOYSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.47
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-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide
CID 106003440
N-(2-chloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106029185
N-[2-(difluoromethylsulfanyl)phenyl]-3-(propylamino)propane-1-sulfonamide
CID 106057856
N-(3-fluoro-2-methylphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106018387
N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
CID 106003226
N-(3-chloro-2-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106086632
N-(5-chloro-2-methoxyphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106059590
3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide
CID 106057677
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide
CID 22774000
N-(2,6-dibromophenyl)-3-(propylamino)propane-1-sulfonamide
CID 106088845
N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114138711
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide (CID 114141241) is N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide is CCCNCCCS(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide?
The InChIKey is RJEDVGVZBSIXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-2-8-14-9-5-10-18(16,17)15-12-7-4-3-6-11(12)13/h3-4,6-7,14-15H,2,5,8-10H2,1H3.
What are the key properties of N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide?
N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide is sourced from PubChem (CID 114141241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).