N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide

C21H25ClN4O3S — CID 35355750

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1
InChIInChI=1S/C21H25ClN4O3S/c1-25-9-11-26(12-10-25)20-8-5-16(22)14-19(20)23-21(27)15-3-2-4-18(13-15)30(28,29)24-17-6-7-17/h2-5,8,13-14,17,24H,6-7,9-12H2,1H3,(H,23,27)
InChIKeyKKOFHIAQGSZKAO-UHFFFAOYSA-N
MW448.98 g/mol
LogP2.78
Rot. Bonds6

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 35355750) has the molecular formula C21H25ClN4O3S and a molecular weight of 448.98 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide
PubChem CID35355750
Molecular FormulaC21H25ClN4O3S
Molecular Weight448.98 g/mol
Exact Mass448.13
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1
InChIInChI=1S/C21H25ClN4O3S/c1-25-9-11-26(12-10-25)20-8-5-16(22)14-19(20)23-21(27)15-3-2-4-18(13-15)30(28,29)24-17-6-7-17/h2-5,8,13-14,17,24H,6-7,9-12H2,1H3,(H,23,27)
InChIKeyKKOFHIAQGSZKAO-UHFFFAOYSA-N
XLogP2.78
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.98
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212
N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55763086
N-(5-chloro-2-propoxyphenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55896659
N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 39851862
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
4-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4796502
N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 16550994
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 26900822
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 16547024
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide
CID 55480738
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide
CID 38917765

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide (CID 35355750) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide is CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is KKOFHIAQGSZKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3S/c1-25-9-11-26(12-10-25)20-8-5-16(22)14-19(20)23-21(27)15-3-2-4-18(13-15)30(28,29)24-17-6-7-17/h2-5,8,13-14,17,24H,6-7,9-12H2,1H3,(H,23,27).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 448.98 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 35355750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).