6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid

C13H18N2O5S — CID 43241522

IUPAC6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid
SMILESNC(=O)c1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C13H18N2O5S/c14-13(18)10-5-7-11(8-6-10)21(19,20)15-9-3-1-2-4-12(16)17/h5-8,15H,1-4,9H2,(H2,14,18)(H,16,17)
InChIKeyBBPSMIBVWVWWKJ-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.71
Rot. Bonds9

About 6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid

6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid (PubChem CID 43241522) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid
PubChem CID43241522
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid
SMILESNC(=O)c1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C13H18N2O5S/c14-13(18)10-5-7-11(8-6-10)21(19,20)15-9-3-1-2-4-12(16)17/h5-8,15H,1-4,9H2,(H2,14,18)(H,16,17)
InChIKeyBBPSMIBVWVWWKJ-UHFFFAOYSA-N
XLogP0.71
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.71
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

5-[[4-(4-carbamoylphenoxy)phenyl]sulfonylamino]pentanoic acid
CID 171726310
4-(5-hydroxypentylsulfamoyl)benzamide
CID 107319438
6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
CID 28530885
5-[(4-carbamothioylphenyl)sulfonylamino]pentanamide
CID 106237168
6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
CID 43237660
6-[(3,4-difluorophenyl)sulfonylamino]hexanoic acid
CID 3612894
5-[(4-hydroxyphenyl)sulfonylamino]pentanamide
CID 114162417
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
7-[(3,5-difluorophenyl)sulfonylamino]heptanoic acid
CID 43241563
7-[(3,5-dimethylphenyl)sulfonylamino]heptanoic acid
CID 60640044
4-[(4-ethenylphenyl)sulfonylamino]butanoic acid
CID 122067599
4-[7-[(4-carbamimidoylphenyl)sulfonylamino]heptylsulfamoyl]benzenecarboximidamide;dihydrochloride
CID 162333556

Frequently Asked Questions

What is the IUPAC name of 6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid (CID 43241522) is 6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid is NC(=O)c1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1.
What is the InChIKey of 6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid?
The InChIKey is BBPSMIBVWVWWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c14-13(18)10-5-7-11(8-6-10)21(19,20)15-9-3-1-2-4-12(16)17/h5-8,15H,1-4,9H2,(H2,14,18)(H,16,17).
What are the key properties of 6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid?
6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid has a molecular weight of 314.36 g/mol, XLogP of 0.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 43241522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).