N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide

C14H18N2O2S — CID 116644409

IUPACN-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide
SMILESCC#CCCNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H18N2O2S/c1-2-3-4-11-15-12-7-9-14(10-8-12)19(17,18)16-13-5-6-13/h7-10,13,15-16H,4-6,11H2,1H3
InChIKeyHHZPLGYMEJBOFZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.95
Rot. Bonds6

About N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide

N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide (PubChem CID 116644409) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide
PubChem CID116644409
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide
SMILESCC#CCCNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H18N2O2S/c1-2-3-4-11-15-12-7-9-14(10-8-12)19(17,18)16-13-5-6-13/h7-10,13,15-16H,4-6,11H2,1H3
InChIKeyHHZPLGYMEJBOFZ-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052
N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62664839
N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide
CID 64910863
3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926612
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide
CID 106404388
4-iodo-N-pent-3-ynylaniline
CID 104806192
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
CID 35506541
N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 82873492
4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide
CID 43653616
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide (CID 116644409) is N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide is CC#CCCNc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide?
The InChIKey is HHZPLGYMEJBOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-3-4-11-15-12-7-9-14(10-8-12)19(17,18)16-13-5-6-13/h7-10,13,15-16H,4-6,11H2,1H3.
What are the key properties of N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide?
N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide is sourced from PubChem (CID 116644409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).