N-cyclopropyl-2-(pentylamino)benzenesulfonamide

C14H22N2O2S — CID 43454657

IUPACN-cyclopropyl-2-(pentylamino)benzenesulfonamide
SMILESCCCCCNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H22N2O2S/c1-2-3-6-11-15-13-7-4-5-8-14(13)19(17,18)16-12-9-10-12/h4-5,7-8,12,15-16H,2-3,6,9-11H2,1H3
InChIKeyJMSLEAZOKBTFCB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.73
Rot. Bonds8

About N-cyclopropyl-2-(pentylamino)benzenesulfonamide

N-cyclopropyl-2-(pentylamino)benzenesulfonamide (PubChem CID 43454657) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(pentylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(pentylamino)benzenesulfonamide
PubChem CID43454657
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-cyclopropyl-2-(pentylamino)benzenesulfonamide
SMILESCCCCCNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H22N2O2S/c1-2-3-6-11-15-13-7-4-5-8-14(13)19(17,18)16-12-9-10-12/h4-5,7-8,12,15-16H,2-3,6,9-11H2,1H3
InChIKeyJMSLEAZOKBTFCB-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.73
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-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
CID 106127786
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
N-cyclopropyl-2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 115520486
N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide
CID 62143440
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
CID 62156688
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate
CID 83204510

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(pentylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-(pentylamino)benzenesulfonamide (CID 43454657) is N-cyclopropyl-2-(pentylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(pentylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(pentylamino)benzenesulfonamide is CCCCCNc1ccccc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(pentylamino)benzenesulfonamide?
The InChIKey is JMSLEAZOKBTFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-3-6-11-15-13-7-4-5-8-14(13)19(17,18)16-12-9-10-12/h4-5,7-8,12,15-16H,2-3,6,9-11H2,1H3.
What are the key properties of N-cyclopropyl-2-(pentylamino)benzenesulfonamide?
N-cyclopropyl-2-(pentylamino)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(pentylamino)benzenesulfonamide is sourced from PubChem (CID 43454657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).