2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide

C15H20Cl2N2O3S — CID 46665692

IUPAC2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O3S/c1-2-3-4-7-18-15(20)11-8-14(13(17)9-12(11)16)23(21,22)19-10-5-6-10/h8-10,19H,2-7H2,1H3,(H,18,20)
InChIKeyDWQIWIJGBJDRAJ-UHFFFAOYSA-N
MW379.31 g/mol
LogP3.35
Rot. Bonds8

About 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide (PubChem CID 46665692) has the molecular formula C15H20Cl2N2O3S and a molecular weight of 379.31 g/mol. Its IUPAC name is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
PubChem CID46665692
Molecular FormulaC15H20Cl2N2O3S
Molecular Weight379.31 g/mol
Exact Mass378.06
IUPAC Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O3S/c1-2-3-4-7-18-15(20)11-8-14(13(17)9-12(11)16)23(21,22)19-10-5-6-10/h8-10,19H,2-7H2,1H3,(H,18,20)
InChIKeyDWQIWIJGBJDRAJ-UHFFFAOYSA-N
XLogP3.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 19257534
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393058
2,4-dichloro-N-pentyl-5-sulfamoylbenzamide
CID 60635006
propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate
CID 56543666
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 17476854
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17497716
N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4917995
N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 19257569
N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 55866989
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 55950772
2-bromo-4-chloro-5-(hexylcarbamoyl)benzenesulfonyl chloride
CID 65397654
2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide?
The IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide (CID 46665692) is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide.
What is the SMILES notation for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide?
The canonical SMILES for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide is CCCCCNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide?
The InChIKey is DWQIWIJGBJDRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3S/c1-2-3-4-7-18-15(20)11-8-14(13(17)9-12(11)16)23(21,22)19-10-5-6-10/h8-10,19H,2-7H2,1H3,(H,18,20).
What are the key properties of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide?
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide has a molecular weight of 379.31 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide is sourced from PubChem (CID 46665692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).