2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide

C17H15Cl2FN2O3S — CID 30866994

IUPAC2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C17H15Cl2FN2O3S/c1-9-2-3-11(6-15(9)20)21-17(23)12-7-16(14(19)8-13(12)18)26(24,25)22-10-4-5-10/h2-3,6-8,10,22H,4-5H2,1H3,(H,21,23)
InChIKeyPKVZVYCTLUNREY-UHFFFAOYSA-N
MW417.29 g/mol
LogP4.13
Rot. Bonds5

About 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide (PubChem CID 30866994) has the molecular formula C17H15Cl2FN2O3S and a molecular weight of 417.29 g/mol. Its IUPAC name is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide
PubChem CID30866994
Molecular FormulaC17H15Cl2FN2O3S
Molecular Weight417.29 g/mol
Exact Mass416.02
IUPAC Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C17H15Cl2FN2O3S/c1-9-2-3-11(6-15(9)20)21-17(23)12-7-16(14(19)8-13(12)18)26(24,25)22-10-4-5-10/h2-3,6-8,10,22H,4-5H2,1H3,(H,21,23)
InChIKeyPKVZVYCTLUNREY-UHFFFAOYSA-N
XLogP4.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 19257569
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 19257463
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3,4-dimethoxyphenyl)benzamide
CID 19258290
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 5295477
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 19257437
2,4-dichloro-5-(cyclohexylsulfamoyl)-N-phenylbenzamide
CID 1356387
2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide
CID 5295479
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 24610777
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17497716
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-pyridin-3-ylbenzamide
CID 19257517
2-chloro-N-(3-fluoro-4-methylphenyl)-5-hydroxybenzamide
CID 106501312
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
CID 46665692

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide (CID 30866994) is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)cc1F.
What is the InChIKey of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide?
The InChIKey is PKVZVYCTLUNREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O3S/c1-9-2-3-11(6-15(9)20)21-17(23)12-7-16(14(19)8-13(12)18)26(24,25)22-10-4-5-10/h2-3,6-8,10,22H,4-5H2,1H3,(H,21,23).
What are the key properties of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide?
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide has a molecular weight of 417.29 g/mol, XLogP of 4.13, 5 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-(3-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 30866994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).