2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide

C16H18Cl2N4O3S — CID 37393058

IUPAC2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1cccn1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N4O3S/c17-13-10-14(18)15(26(24,25)21-11-3-4-11)9-12(13)16(23)19-5-1-7-22-8-2-6-20-22/h2,6,8-11,21H,1,3-5,7H2,(H,19,23)
InChIKeySOKLPBNWPFLPNC-UHFFFAOYSA-N
MW417.32 g/mol
LogP2.45
Rot. Bonds8

About 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 37393058) has the molecular formula C16H18Cl2N4O3S and a molecular weight of 417.32 g/mol. Its IUPAC name is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID37393058
Molecular FormulaC16H18Cl2N4O3S
Molecular Weight417.32 g/mol
Exact Mass416.05
IUPAC Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1cccn1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N4O3S/c17-13-10-14(18)15(26(24,25)21-11-3-4-11)9-12(13)16(23)19-5-1-7-22-8-2-6-20-22/h2,6,8-11,21H,1,3-5,7H2,(H,19,23)
InChIKeySOKLPBNWPFLPNC-UHFFFAOYSA-N
XLogP2.45
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
CID 46665692
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 19257534
4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112701067
2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394125
propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate
CID 56543666
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985999
2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 115761179
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
N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 99927465
2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 113347114
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17474547

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide (CID 37393058) is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide is O=C(NCCCn1cccn1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is SOKLPBNWPFLPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O3S/c17-13-10-14(18)15(26(24,25)21-11-3-4-11)9-12(13)16(23)19-5-1-7-22-8-2-6-20-22/h2,6,8-11,21H,1,3-5,7H2,(H,19,23).
What are the key properties of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 417.32 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 37393058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).