6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide

C13H21N3O3S — CID 43710875

IUPAC6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)CCCCCN
InChIInChI=1S/C13H21N3O3S/c1-20(18,19)16-12-8-5-4-7-11(12)15-13(17)9-3-2-6-10-14/h4-5,7-8,16H,2-3,6,9-10,14H2,1H3,(H,15,17)
InChIKeyKCJVGFZRSLOQSF-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.52
Rot. Bonds8

About 6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide

6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide (PubChem CID 43710875) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide
PubChem CID43710875
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)CCCCCN
InChIInChI=1S/C13H21N3O3S/c1-20(18,19)16-12-8-5-4-7-11(12)15-13(17)9-3-2-6-10-14/h4-5,7-8,16H,2-3,6,9-10,14H2,1H3,(H,15,17)
InChIKeyKCJVGFZRSLOQSF-UHFFFAOYSA-N
XLogP1.52
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[2-(methanesulfonamido)phenyl]butanamide
CID 43710881
5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide
CID 43700341
7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride
CID 119753331
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide
CID 119745689
7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
CID 119797982
N-[2-(methanesulfonamido)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119704021
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
7-amino-N-(3-iodo-2-methylphenyl)heptanamide
CID 114257248

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide?
The IUPAC name of 6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide (CID 43710875) is 6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide.
What is the SMILES notation for 6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide?
The canonical SMILES for 6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide is CS(=O)(=O)Nc1ccccc1NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide?
The InChIKey is KCJVGFZRSLOQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-20(18,19)16-12-8-5-4-7-11(12)15-13(17)9-3-2-6-10-14/h4-5,7-8,16H,2-3,6,9-10,14H2,1H3,(H,15,17).
What are the key properties of 6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide?
6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide has a molecular weight of 299.40 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide is sourced from PubChem (CID 43710875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).