N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide

C14H23N3O2S — CID 62664839

IUPACN-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
SMILESCC(C)NCCNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-11(2)15-9-10-16-12-5-7-14(8-6-12)20(18,19)17-13-3-4-13/h5-8,11,13,15-17H,3-4,9-10H2,1-2H3
InChIKeyGTZIMYFEXRKCIA-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.54
Rot. Bonds8

About N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide

N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide (PubChem CID 62664839) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
PubChem CID62664839
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
SMILESCC(C)NCCNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-11(2)15-9-10-16-12-5-7-14(8-6-12)20(18,19)17-13-3-4-13/h5-8,11,13,15-17H,3-4,9-10H2,1-2H3
InChIKeyGTZIMYFEXRKCIA-UHFFFAOYSA-N
XLogP1.54
TPSA70.23 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 ≤ 51.54
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-4-(3-hydroxybutylamino)benzenesulfonamide
CID 64910863
N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052
N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide
CID 116644409
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926612
1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
CID 35506541
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83186685
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 43454039
N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide
CID 106404388

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide (CID 62664839) is N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide is CC(C)NCCNc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide?
The InChIKey is GTZIMYFEXRKCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(2)15-9-10-16-12-5-7-14(8-6-12)20(18,19)17-13-3-4-13/h5-8,11,13,15-17H,3-4,9-10H2,1-2H3.
What are the key properties of N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide?
N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide is sourced from PubChem (CID 62664839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).