2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide

C14H23N3O2S — CID 106127786

IUPAC2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
SMILESCC(N)CCCNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H23N3O2S/c1-11(15)5-4-10-16-13-6-2-3-7-14(13)20(18,19)17-12-8-9-12/h2-3,6-7,11-12,16-17H,4-5,8-10,15H2,1H3
InChIKeyXYUBFCWKDJMCQD-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.67
Rot. Bonds8

About 2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide

2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide (PubChem CID 106127786) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
PubChem CID106127786
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
SMILESCC(N)CCCNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H23N3O2S/c1-11(15)5-4-10-16-13-6-2-3-7-14(13)20(18,19)17-12-8-9-12/h2-3,6-7,11-12,16-17H,4-5,8-10,15H2,1H3
InChIKeyXYUBFCWKDJMCQD-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide
CID 106244439
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
N-cyclopropyl-2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 115520486
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 63925494
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate
CID 83204510
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide (CID 106127786) is 2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide is CC(N)CCCNc1ccccc1S(=O)(=O)NC1CC1.
What is the InChIKey of 2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide?
The InChIKey is XYUBFCWKDJMCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(15)5-4-10-16-13-6-2-3-7-14(13)20(18,19)17-12-8-9-12/h2-3,6-7,11-12,16-17H,4-5,8-10,15H2,1H3.
What are the key properties of 2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide?
2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 106127786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).