2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide

C20H23Cl2N5O3S — CID 24610777

IUPAC2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)NC4CC4)c(Cl)cc3Cl)cn2)CC1
InChIInChI=1S/C20H23Cl2N5O3S/c1-26-6-8-27(9-7-26)19-5-4-14(12-23-19)24-20(28)15-10-18(17(22)11-16(15)21)31(29,30)25-13-2-3-13/h4-5,10-13,25H,2-3,6-9H2,1H3,(H,24,28)
InChIKeyZTVOCMNRLODBMN-UHFFFAOYSA-N
MW484.41 g/mol
LogP2.83
Rot. Bonds6

About 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide (PubChem CID 24610777) has the molecular formula C20H23Cl2N5O3S and a molecular weight of 484.41 g/mol. Its IUPAC name is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
PubChem CID24610777
Molecular FormulaC20H23Cl2N5O3S
Molecular Weight484.41 g/mol
Exact Mass483.09
IUPAC Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)NC4CC4)c(Cl)cc3Cl)cn2)CC1
InChIInChI=1S/C20H23Cl2N5O3S/c1-26-6-8-27(9-7-26)19-5-4-14(12-23-19)24-20(28)15-10-18(17(22)11-16(15)21)31(29,30)25-13-2-3-13/h4-5,10-13,25H,2-3,6-9H2,1H3,(H,24,28)
InChIKeyZTVOCMNRLODBMN-UHFFFAOYSA-N
XLogP2.83
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 19257569
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 5295477
2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide
CID 5295479
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3,4-dimethoxyphenyl)benzamide
CID 19258290
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 19257437
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 30866994
2,4-dichloro-5-(cyclohexylsulfamoyl)-N-phenylbenzamide
CID 1356387
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
(6S)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 26125739
(6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 26125737
3-[(2-chlorophenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 26126632
4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 24610746

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide (CID 24610777) is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide is CN1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)NC4CC4)c(Cl)cc3Cl)cn2)CC1.
What is the InChIKey of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is ZTVOCMNRLODBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N5O3S/c1-26-6-8-27(9-7-26)19-5-4-14(12-23-19)24-20(28)15-10-18(17(22)11-16(15)21)31(29,30)25-13-2-3-13/h4-5,10-13,25H,2-3,6-9H2,1H3,(H,24,28).
What are the key properties of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 484.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 24610777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).