4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide

C14H19NO4S — CID 82165049

IUPAC4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C14H19NO4S/c1-19-10-2-9-15-20(17,18)13-7-5-12(6-8-13)14(16)11-3-4-11/h5-8,11,15H,2-4,9-10H2,1H3
InChIKeyHONJOTDQVSTCQN-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.59
Rot. Bonds8

About 4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide

4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 82165049) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID82165049
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C14H19NO4S/c1-19-10-2-9-15-20(17,18)13-7-5-12(6-8-13)14(16)11-3-4-11/h5-8,11,15H,2-4,9-10H2,1H3
InChIKeyHONJOTDQVSTCQN-UHFFFAOYSA-N
XLogP1.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109059876
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
N-[3-(2-methoxyethoxy)propyl]-4-methylsulfonylbenzenesulfonamide
CID 55559817
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 168522787
N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166
4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109059915
4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110607148
1-(4-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119336
1-(4-fluorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17224019
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide (CID 82165049) is 4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide is COCCCNS(=O)(=O)c1ccc(C(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is HONJOTDQVSTCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-19-10-2-9-15-20(17,18)13-7-5-12(6-8-13)14(16)11-3-4-11/h5-8,11,15H,2-4,9-10H2,1H3.
What are the key properties of 4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide?
4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 82165049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).