4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide

C21H29N3O3S — CID 42635572

IUPAC4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H29N3O3S/c1-18(22-28(25,26)21-10-8-20(27-2)9-11-21)12-13-23-14-16-24(17-15-23)19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3
InChIKeyVNZGWPVLIRALKO-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.57
Rot. Bonds8

About 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide

4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide (PubChem CID 42635572) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide
PubChem CID42635572
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H29N3O3S/c1-18(22-28(25,26)21-10-8-20(27-2)9-11-21)12-13-23-14-16-24(17-15-23)19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3
InChIKeyVNZGWPVLIRALKO-UHFFFAOYSA-N
XLogP2.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide (CID 42635572) is 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is VNZGWPVLIRALKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-18(22-28(25,26)21-10-8-20(27-2)9-11-21)12-13-23-14-16-24(17-15-23)19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3.
What are the key properties of 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide?
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 403.55 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 42635572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).