4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide

C18H21N3O3S — CID 1262873

IUPAC4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
SMILESCN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C18H21N3O3S/c1-20-11-13-21(14-12-20)25(23,24)17-9-7-15(8-10-17)18(22)19-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22)
InChIKeyWYCKBBPKPNMQFF-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.88
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide

4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide (PubChem CID 1262873) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
PubChem CID1262873
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
SMILESCN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C18H21N3O3S/c1-20-11-13-21(14-12-20)25(23,24)17-9-7-15(8-10-17)18(22)19-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22)
InChIKeyWYCKBBPKPNMQFF-UHFFFAOYSA-N
XLogP1.88
TPSA69.72 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide (CID 1262873) is 4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide is CN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide?
The InChIKey is WYCKBBPKPNMQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-20-11-13-21(14-12-20)25(23,24)17-9-7-15(8-10-17)18(22)19-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22).
What are the key properties of 4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide?
4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide has a molecular weight of 359.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide is sourced from PubChem (CID 1262873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).