7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride

C19H26ClN3O3S — CID 119753331

IUPAC7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H25N3O3S.ClH/c20-15-9-2-1-6-14-19(23)21-17-12-7-8-13-18(17)22-26(24,25)16-10-4-3-5-11-16;/h3-5,7-8,10-13,22H,1-2,6,9,14-15,20H2,(H,21,23);1H
InChIKeyZPXCDPSNWAHTJC-UHFFFAOYSA-N
MW411.96 g/mol
LogP3.76
Rot. Bonds10

About 7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride

7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride (PubChem CID 119753331) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is 7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride
PubChem CID119753331
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC Name7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H25N3O3S.ClH/c20-15-9-2-1-6-14-19(23)21-17-12-7-8-13-18(17)22-26(24,25)16-10-4-3-5-11-16;/h3-5,7-8,10-13,22H,1-2,6,9,14-15,20H2,(H,21,23);1H
InChIKeyZPXCDPSNWAHTJC-UHFFFAOYSA-N
XLogP3.76
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.76
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-[2-(methanesulfonamido)phenyl]hexanamide
CID 43710875
4-amino-N-[2-(methanesulfonamido)phenyl]butanamide
CID 43710881
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
6-amino-N-[4-(pyridin-2-ylsulfamoyl)phenyl]hexanamide
CID 134363098
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
CID 119797982
3-[2-(5-aminopentanoylamino)phenyl]propanoic acid
CID 107273556
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 49202160
7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119684692
6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide
CID 135365962

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride (CID 119753331) is 7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride?
The InChIKey is ZPXCDPSNWAHTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c20-15-9-2-1-6-14-19(23)21-17-12-7-8-13-18(17)22-26(24,25)16-10-4-3-5-11-16;/h3-5,7-8,10-13,22H,1-2,6,9,14-15,20H2,(H,21,23);1H.
What are the key properties of 7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride?
7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 3.76, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119753331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).