4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride

C12H20ClN3O3S — CID 120559877

IUPAC4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1cccc(NS(C)(=O)=O)c1.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-9(13)6-7-12(16)14-10-4-3-5-11(8-10)15-19(2,17)18;/h3-5,8-9,15H,6-7,13H2,1-2H3,(H,14,16);1H
InChIKeyKPGGDODVAUAIAM-UHFFFAOYSA-N
MW321.83 g/mol
LogP1.55
Rot. Bonds6

About 4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride

4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride (PubChem CID 120559877) has the molecular formula C12H20ClN3O3S and a molecular weight of 321.83 g/mol. Its IUPAC name is 4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride
PubChem CID120559877
Molecular FormulaC12H20ClN3O3S
Molecular Weight321.83 g/mol
Exact Mass321.09
IUPAC Name4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1cccc(NS(C)(=O)=O)c1.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-9(13)6-7-12(16)14-10-4-3-5-11(8-10)15-19(2,17)18;/h3-5,8-9,15H,6-7,13H2,1-2H3,(H,14,16);1H
InChIKeyKPGGDODVAUAIAM-UHFFFAOYSA-N
XLogP1.55
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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5-[3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60940402
4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 120558919
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CID 61276046
2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide
CID 81088623
5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide
CID 82850255
N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
CID 29357603
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
CID 39206218
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579
N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
5-amino-N-(3-chlorophenyl)hexanamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride (CID 120559877) is 4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride is CC(N)CCC(=O)Nc1cccc(NS(C)(=O)=O)c1.Cl.
What is the InChIKey of 4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride?
The InChIKey is KPGGDODVAUAIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S.ClH/c1-9(13)6-7-12(16)14-10-4-3-5-11(8-10)15-19(2,17)18;/h3-5,8-9,15H,6-7,13H2,1-2H3,(H,14,16);1H.
What are the key properties of 4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride?
4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride has a molecular weight of 321.83 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120559877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).