(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide

C11H16ClN3O3S — CID 119279126

IUPAC(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H16ClN3O3S/c1-8(13)11(16)14-5-6-15-19(17,18)10-4-2-3-9(12)7-10/h2-4,7-8,15H,5-6,13H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyBCYHPEJWIOQYTL-QMMMGPOBSA-N
MW305.79 g/mol
LogP0.08
Rot. Bonds6

About (2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide

(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide (PubChem CID 119279126) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
PubChem CID119279126
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H16ClN3O3S/c1-8(13)11(16)14-5-6-15-19(17,18)10-4-2-3-9(12)7-10/h2-4,7-8,15H,5-6,13H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyBCYHPEJWIOQYTL-QMMMGPOBSA-N
XLogP0.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
CID 119279110
2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide
CID 120785640
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide
CID 32999320
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119704315
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 119279132
2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propan-2-ylguanidine
CID 111043974
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
methyl 3-[(3-chlorophenyl)sulfonylamino]-2-iodopropanoate
CID 103493655
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide (CID 119279126) is (2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide is C[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide?
The InChIKey is BCYHPEJWIOQYTL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-8(13)11(16)14-5-6-15-19(17,18)10-4-2-3-9(12)7-10/h2-4,7-8,15H,5-6,13H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide?
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide has a molecular weight of 305.79 g/mol, XLogP of 0.08, 6 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-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 119279126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).