2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide

C15H19ClN4O3S — CID 4877445

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCN(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O3S/c1-19(24(22,23)14-5-3-13(16)4-6-14)11-15(21)18-7-2-9-20-10-8-17-12-20/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,18,21)
InChIKeyNBSGQJPRVFAQAP-UHFFFAOYSA-N
MW370.86 g/mol
LogP1.36
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 4877445) has the molecular formula C15H19ClN4O3S and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID4877445
Molecular FormulaC15H19ClN4O3S
Molecular Weight370.86 g/mol
Exact Mass370.09
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCN(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O3S/c1-19(24(22,23)14-5-3-13(16)4-6-14)11-15(21)18-7-2-9-20-10-8-17-12-20/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,18,21)
InChIKeyNBSGQJPRVFAQAP-UHFFFAOYSA-N
XLogP1.36
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide (CID 4877445) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide is CN(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is NBSGQJPRVFAQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3S/c1-19(24(22,23)14-5-3-13(16)4-6-14)11-15(21)18-7-2-9-20-10-8-17-12-20/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,18,21).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 370.86 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 4877445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).