4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride

C11H18ClN3O3S — CID 118707441

IUPAC4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S.ClH/c12-7-1-2-11(15)14-8-9-3-5-10(6-4-9)18(13,16)17;/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17);1H
InChIKeyDXUUDRQDZTZFHR-UHFFFAOYSA-N
MW307.80 g/mol
LogP0.11
Rot. Bonds6

About 4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride

4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride (PubChem CID 118707441) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is 4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride
PubChem CID118707441
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S.ClH/c12-7-1-2-11(15)14-8-9-3-5-10(6-4-9)18(13,16)17;/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17);1H
InChIKeyDXUUDRQDZTZFHR-UHFFFAOYSA-N
XLogP0.11
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride (CID 118707441) is 4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride is Cl.NCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride?
The InChIKey is DXUUDRQDZTZFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S.ClH/c12-7-1-2-11(15)14-8-9-3-5-10(6-4-9)18(13,16)17;/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17);1H.
What are the key properties of 4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride?
4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride has a molecular weight of 307.80 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 118707441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).