7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride

C16H28ClN3O3S — CID 119754206

IUPAC7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)CCCCCCN)cc1.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-2-13-23(21,22)19-15-10-8-14(9-11-15)18-16(20)7-5-3-4-6-12-17;/h8-11,19H,2-7,12-13,17H2,1H3,(H,18,20);1H
InChIKeyPNWRXADTFWHRMK-UHFFFAOYSA-N
MW377.94 g/mol
LogP3.11
Rot. Bonds11

About 7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride

7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride (PubChem CID 119754206) has the molecular formula C16H28ClN3O3S and a molecular weight of 377.94 g/mol. Its IUPAC name is 7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride
PubChem CID119754206
Molecular FormulaC16H28ClN3O3S
Molecular Weight377.94 g/mol
Exact Mass377.15
IUPAC Name7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)CCCCCCN)cc1.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-2-13-23(21,22)19-15-10-8-14(9-11-15)18-16(20)7-5-3-4-6-12-17;/h8-11,19H,2-7,12-13,17H2,1H3,(H,18,20);1H
InChIKeyPNWRXADTFWHRMK-UHFFFAOYSA-N
XLogP3.11
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 53.11
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

6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
CID 60944515
7-amino-N-[4-(propylsulfamoyl)phenyl]heptanamide;hydrochloride
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7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide
CID 119745689
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
CID 43706422
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
4-amino-N-(4-ethylsulfonylphenyl)butanamide
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N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
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4-(6-aminohexanoylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride (CID 119754206) is 7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride is CCCS(=O)(=O)Nc1ccc(NC(=O)CCCCCCN)cc1.Cl.
What is the InChIKey of 7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride?
The InChIKey is PNWRXADTFWHRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S.ClH/c1-2-13-23(21,22)19-15-10-8-14(9-11-15)18-16(20)7-5-3-4-6-12-17;/h8-11,19H,2-7,12-13,17H2,1H3,(H,18,20);1H.
What are the key properties of 7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride?
7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride has a molecular weight of 377.94 g/mol, XLogP of 3.11, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119754206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).