3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride

C11H18ClN3O3S — CID 119731394

IUPAC3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1cccc(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C11H17N3O3S.ClH/c1-8(12)5-11(15)14-7-9-3-2-4-10(6-9)18(13,16)17;/h2-4,6,8H,5,7,12H2,1H3,(H,14,15)(H2,13,16,17);1H
InChIKeyJFHGDROZSGDCAZ-UHFFFAOYSA-N
MW307.80 g/mol
LogP0.11
Rot. Bonds5

About 3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride

3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride (PubChem CID 119731394) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is 3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
PubChem CID119731394
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1cccc(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C11H17N3O3S.ClH/c1-8(12)5-11(15)14-7-9-3-2-4-10(6-9)18(13,16)17;/h2-4,6,8H,5,7,12H2,1H3,(H,14,15)(H2,13,16,17);1H
InChIKeyJFHGDROZSGDCAZ-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride
CID 119673570
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 62638953
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731383
4-hydroxy-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 79192761
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
(2S)-2-amino-4-methylsulfanyl-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 61180691
3-(2-aminopropyl)benzenesulfonamide
CID 72637077
2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 79506370
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
2-[2-oxo-2-[(3-sulfamoylphenyl)methylamino]ethyl]sulfanylacetic acid
CID 104569122

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride (CID 119731394) is 3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride is CC(N)CC(=O)NCc1cccc(S(N)(=O)=O)c1.Cl.
What is the InChIKey of 3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride?
The InChIKey is JFHGDROZSGDCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S.ClH/c1-8(12)5-11(15)14-7-9-3-2-4-10(6-9)18(13,16)17;/h2-4,6,8H,5,7,12H2,1H3,(H,14,15)(H2,13,16,17);1H.
What are the key properties of 3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride?
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride has a molecular weight of 307.80 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119731394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).