4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide

C19H27N3O4S — CID 110626322

IUPAC4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(=O)C3CC3)cc2)CC1
InChIInChI=1S/C19H27N3O4S/c1-2-21-11-13-22(14-12-21)18(23)9-10-20-27(25,26)17-7-5-16(6-8-17)19(24)15-3-4-15/h5-8,15,20H,2-4,9-14H2,1H3
InChIKeyDMZFBUBDNJPOKB-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.11
Rot. Bonds8

About 4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide

4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 110626322) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID110626322
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(=O)C3CC3)cc2)CC1
InChIInChI=1S/C19H27N3O4S/c1-2-21-11-13-22(14-12-21)18(23)9-10-20-27(25,26)17-7-5-16(6-8-17)19(24)15-3-4-15/h5-8,15,20H,2-4,9-14H2,1H3
InChIKeyDMZFBUBDNJPOKB-UHFFFAOYSA-N
XLogP1.11
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110287214
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 110287226
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 55480449
2,4,6-trimethyl-N-[3-[4-(4-methylbenzoyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55955439
5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
CID 110287224
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 82165049
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215
N-[3-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 49071768
4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 2236890

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 110626322) is 4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide is CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(=O)C3CC3)cc2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is DMZFBUBDNJPOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-2-21-11-13-22(14-12-21)18(23)9-10-20-27(25,26)17-7-5-16(6-8-17)19(24)15-3-4-15/h5-8,15,20H,2-4,9-14H2,1H3.
What are the key properties of 4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide?
4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 110626322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).