(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide

C13H18Cl2N2O4S — CID 126392529

IUPAC(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O4S/c1-9(13(18)16-6-3-7-21-2)17-22(19,20)12-8-10(14)4-5-11(12)15/h4-5,8-9,17H,3,6-7H2,1-2H3,(H,16,18)/t9-/m1/s1
InChIKeyBSBYABAYHVYIAB-SECBINFHSA-N
MW369.27 g/mol
LogP1.81
Rot. Bonds8

About (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide

(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide (PubChem CID 126392529) has the molecular formula C13H18Cl2N2O4S and a molecular weight of 369.27 g/mol. Its IUPAC name is (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
PubChem CID126392529
Molecular FormulaC13H18Cl2N2O4S
Molecular Weight369.27 g/mol
Exact Mass368.04
IUPAC Name(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O4S/c1-9(13(18)16-6-3-7-21-2)17-22(19,20)12-8-10(14)4-5-11(12)15/h4-5,8-9,17H,3,6-7H2,1-2H3,(H,16,18)/t9-/m1/s1
InChIKeyBSBYABAYHVYIAB-SECBINFHSA-N
XLogP1.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
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-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)propanamide
CID 126397173
2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide
CID 4320202
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 31540732
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 43890415
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 126393592
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 126394209
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide
CID 43890329
N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890192
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977
2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 106612613

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide (CID 126392529) is (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide?
The InChIKey is BSBYABAYHVYIAB-SECBINFHSA-N. The full InChI is InChI=1S/C13H18Cl2N2O4S/c1-9(13(18)16-6-3-7-21-2)17-22(19,20)12-8-10(14)4-5-11(12)15/h4-5,8-9,17H,3,6-7H2,1-2H3,(H,16,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide?
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide has a molecular weight of 369.27 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 126392529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).