(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone

C17H24ClN3O4S — CID 1022001

IUPAC(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C17H24ClN3O4S/c1-2-19-5-7-20(8-6-19)17(22)14-3-4-15(18)16(13-14)26(23,24)21-9-11-25-12-10-21/h3-4,13H,2,5-12H2,1H3
InChIKeySLWBNSUFNGKHOU-UHFFFAOYSA-N
MW401.92 g/mol
LogP1.14
Rot. Bonds4

About (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone

(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 1022001) has the molecular formula C17H24ClN3O4S and a molecular weight of 401.92 g/mol. Its IUPAC name is (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID1022001
Molecular FormulaC17H24ClN3O4S
Molecular Weight401.92 g/mol
Exact Mass401.12
IUPAC Name(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C17H24ClN3O4S/c1-2-19-5-7-20(8-6-19)17(22)14-3-4-15(18)16(13-14)26(23,24)21-9-11-25-12-10-21/h3-4,13H,2,5-12H2,1H3
InChIKeySLWBNSUFNGKHOU-UHFFFAOYSA-N
XLogP1.14
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone (CID 1022001) is (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1.
What is the InChIKey of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is SLWBNSUFNGKHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4S/c1-2-19-5-7-20(8-6-19)17(22)14-3-4-15(18)16(13-14)26(23,24)21-9-11-25-12-10-21/h3-4,13H,2,5-12H2,1H3.
What are the key properties of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone?
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 401.92 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 1022001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).