3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide

C16H24ClN3O4S — CID 110287226

IUPAC3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide
SMILESCCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O4S/c1-3-19-8-10-20(11-9-19)16(21)6-7-18-25(22,23)13-4-5-15(24-2)14(17)12-13/h4-5,12,18H,3,6-11H2,1-2H3
InChIKeyIPLJNPJIISPQEZ-UHFFFAOYSA-N
MW389.91 g/mol
LogP1.18
Rot. Bonds7

About 3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide

3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide (PubChem CID 110287226) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is 3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide
PubChem CID110287226
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide
SMILESCCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O4S/c1-3-19-8-10-20(11-9-19)16(21)6-7-18-25(22,23)13-4-5-15(24-2)14(17)12-13/h4-5,12,18H,3,6-11H2,1-2H3
InChIKeyIPLJNPJIISPQEZ-UHFFFAOYSA-N
XLogP1.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 51.18
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
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide
CID 112991752
3-chloro-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
CID 1264172
1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817644
ethyl 4-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 24981712
3-(3,4-dimethoxyphenyl)sulfonyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 110408454
4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 110626322
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-3,4-dimethoxybenzenesulfonamide
CID 38376490
3-chloro-N-cyclohexyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 3934161
4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55330245
N-[3-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 49071768
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid
CID 46291804

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide (CID 110287226) is 3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide is CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide?
The InChIKey is IPLJNPJIISPQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O4S/c1-3-19-8-10-20(11-9-19)16(21)6-7-18-25(22,23)13-4-5-15(24-2)14(17)12-13/h4-5,12,18H,3,6-11H2,1-2H3.
What are the key properties of 3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide has a molecular weight of 389.91 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110287226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).