2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide

C18H21N3O3S — CID 1216990

IUPAC2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(N)=O
InChIInChI=1S/C18H21N3O3S/c1-14-7-8-16(13-17(14)18(19)22)25(23,24)21-11-9-20(10-12-21)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H2,19,22)
InChIKeyUTIXMZMXLOTXBQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.60
Rot. Bonds4

About 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide

2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 1216990) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
PubChem CID1216990
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(N)=O
InChIInChI=1S/C18H21N3O3S/c1-14-7-8-16(13-17(14)18(19)22)25(23,24)21-11-9-20(10-12-21)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H2,19,22)
InChIKeyUTIXMZMXLOTXBQ-UHFFFAOYSA-N
XLogP1.60
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
CID 45466358
5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 46406583
1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 131963351
[5-(azepan-1-ylsulfonyl)-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 28590325
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 2369448
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
CID 46406612
2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119980179
2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 4857710
2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 25408393
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide
CID 2174045
2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120714185
5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 119987776

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide (CID 1216990) is 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is UTIXMZMXLOTXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-7-8-16(13-17(14)18(19)22)25(23,24)21-11-9-20(10-12-21)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H2,19,22).
What are the key properties of 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 359.45 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 1216990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).