3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride

C11H18ClN3O3S — CID 119701893

IUPAC3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc(CS(N)(=O)=O)cc1.Cl
InChIInChI=1S/C11H17N3O3S.ClH/c1-8(12)6-11(15)14-10-4-2-9(3-5-10)7-18(13,16)17;/h2-5,8H,6-7,12H2,1H3,(H,14,15)(H2,13,16,17);1H
InChIKeyYNDMRFYCGQAZNZ-UHFFFAOYSA-N
MW307.80 g/mol
LogP0.57
Rot. Bonds5

About 3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride

3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride (PubChem CID 119701893) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is 3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
PubChem CID119701893
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc(CS(N)(=O)=O)cc1.Cl
InChIInChI=1S/C11H17N3O3S.ClH/c1-8(12)6-11(15)14-10-4-2-9(3-5-10)7-18(13,16)17;/h2-5,8H,6-7,12H2,1H3,(H,14,15)(H2,13,16,17);1H
InChIKeyYNDMRFYCGQAZNZ-UHFFFAOYSA-N
XLogP0.57
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride
CID 119731007
3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide
CID 120873362
(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
CID 119701898
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
CID 60836339
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
3-amino-N-[4-(2-methylsulfanylethyl)phenyl]butanamide;hydrochloride
CID 119769613
2-methyl-3-oxo-3-[4-(sulfamoylmethyl)anilino]propanoic acid
CID 114898086
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 79024483
4-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 43711207

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride (CID 119701893) is 3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride is CC(N)CC(=O)Nc1ccc(CS(N)(=O)=O)cc1.Cl.
What is the InChIKey of 3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride?
The InChIKey is YNDMRFYCGQAZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S.ClH/c1-8(12)6-11(15)14-10-4-2-9(3-5-10)7-18(13,16)17;/h2-5,8H,6-7,12H2,1H3,(H,14,15)(H2,13,16,17);1H.
What are the key properties of 3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride?
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride has a molecular weight of 307.80 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119701893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).