N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide

C16H25N3O5S2 — CID 20971314

IUPACN-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CCNCC2)C2CC2)cc1
InChIInChI=1S/C16H25N3O5S2/c1-24-15-4-6-16(7-5-15)26(22,23)19(14-2-3-14)12-13-25(20,21)18-10-8-17-9-11-18/h4-7,14,17H,2-3,8-13H2,1H3
InChIKeyAOAIHPPZCOYZMI-UHFFFAOYSA-N
MW403.53 g/mol
LogP0.08
Rot. Bonds8

About N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide

N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide (PubChem CID 20971314) has the molecular formula C16H25N3O5S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
PubChem CID20971314
Molecular FormulaC16H25N3O5S2
Molecular Weight403.53 g/mol
Exact Mass403.12
IUPAC NameN-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CCNCC2)C2CC2)cc1
InChIInChI=1S/C16H25N3O5S2/c1-24-15-4-6-16(7-5-15)26(22,23)19(14-2-3-14)12-13-25(20,21)18-10-8-17-9-11-18/h4-7,14,17H,2-3,8-13H2,1H3
InChIKeyAOAIHPPZCOYZMI-UHFFFAOYSA-N
XLogP0.08
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide (CID 20971314) is N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CCNCC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide?
The InChIKey is AOAIHPPZCOYZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S2/c1-24-15-4-6-16(7-5-15)26(22,23)19(14-2-3-14)12-13-25(20,21)18-10-8-17-9-11-18/h4-7,14,17H,2-3,8-13H2,1H3.
What are the key properties of N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide?
N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide has a molecular weight of 403.53 g/mol, XLogP of 0.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 20971314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).