(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide

C11H16ClN3O3S — CID 107568676

IUPAC(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C11H16ClN3O3S/c1-2-3-9(13)11(16)15-10-6-7(19(14,17)18)4-5-8(10)12/h4-6,9H,2-3,13H2,1H3,(H,15,16)(H2,14,17,18)/t9-/m0/s1
InChIKeyLQHBCGTWEWRBCG-VIFPVBQESA-N
MW305.79 g/mol
LogP1.05
Rot. Bonds5

About (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide

(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide (PubChem CID 107568676) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
PubChem CID107568676
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C11H16ClN3O3S/c1-2-3-9(13)11(16)15-10-6-7(19(14,17)18)4-5-8(10)12/h4-6,9H,2-3,13H2,1H3,(H,15,16)(H2,14,17,18)/t9-/m0/s1
InChIKeyLQHBCGTWEWRBCG-VIFPVBQESA-N
XLogP1.05
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide
CID 61178070
2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide
CID 43706825
(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 79025267
3-[[(2S)-2-aminopentanoyl]amino]-4-chlorobenzoic acid
CID 103869558
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
CID 107569473
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 107568455
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365
N-(2-chloro-5-sulfamoylphenyl)-2-ethoxyacetamide
CID 61130321

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide (CID 107568676) is (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide is CCC[C@H](N)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide?
The InChIKey is LQHBCGTWEWRBCG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-2-3-9(13)11(16)15-10-6-7(19(14,17)18)4-5-8(10)12/h4-6,9H,2-3,13H2,1H3,(H,15,16)(H2,14,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide?
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide has a molecular weight of 305.79 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide is sourced from PubChem (CID 107568676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).