2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide

C14H22ClN3O3S — CID 112991642

IUPAC2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NCCCN(C)C)ccc1Cl
InChIInChI=1S/C14H22ClN3O3S/c1-11-9-12(5-6-13(11)15)22(20,21)17-10-14(19)16-7-4-8-18(2)3/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,16,19)
InChIKeyDCABKEPMLVJMOU-UHFFFAOYSA-N
MW347.87 g/mol
LogP0.99
Rot. Bonds8

About 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide

2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 112991642) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID112991642
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Name2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NCCCN(C)C)ccc1Cl
InChIInChI=1S/C14H22ClN3O3S/c1-11-9-12(5-6-13(11)15)22(20,21)17-10-14(19)16-7-4-8-18(2)3/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,16,19)
InChIKeyDCABKEPMLVJMOU-UHFFFAOYSA-N
XLogP0.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 50.99
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

2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991491
N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112991641
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide
CID 112991633
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 112992700
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112991615
N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112999779
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112997620
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 112996149
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 112991498
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
CID 112990970
N-[2-(dimethylamino)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112991485

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide (CID 112991642) is 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide is Cc1cc(S(=O)(=O)NCC(=O)NCCCN(C)C)ccc1Cl.
What is the InChIKey of 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is DCABKEPMLVJMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O3S/c1-11-9-12(5-6-13(11)15)22(20,21)17-10-14(19)16-7-4-8-18(2)3/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,16,19).
What are the key properties of 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide?
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 347.87 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 112991642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).