3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide

C15H23N3O5S2 — CID 77096309

IUPAC3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCS(C)(=O)=O)c2)CCN1
InChIInChI=1S/C15H23N3O5S2/c1-12-11-18(8-6-16-12)25(22,23)14-5-3-4-13(10-14)15(19)17-7-9-24(2,20)21/h3-5,10,12,16H,6-9,11H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyNOICCFQYQBUZQQ-GFCCVEGCSA-N
MW389.50 g/mol
LogP-0.56
Rot. Bonds6

About 3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide

3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide (PubChem CID 77096309) has the molecular formula C15H23N3O5S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide
PubChem CID77096309
Molecular FormulaC15H23N3O5S2
Molecular Weight389.50 g/mol
Exact Mass389.11
IUPAC Name3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCS(C)(=O)=O)c2)CCN1
InChIInChI=1S/C15H23N3O5S2/c1-12-11-18(8-6-16-12)25(22,23)14-5-3-4-13(10-14)15(19)17-7-9-24(2,20)21/h3-5,10,12,16H,6-9,11H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyNOICCFQYQBUZQQ-GFCCVEGCSA-N
XLogP-0.56
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 104975055
(3S)-1-(3-bromophenyl)sulfonyl-3-methylpiperazine
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CID 2330706
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
CID 109063454
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
3-piperazin-1-ylsulfonyl-N-(2-pyridin-4-ylethyl)benzamide;dihydrochloride
CID 154900458
N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide
CID 72848817
3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylbenzoic acid
CID 141107133
N-(7-methyloctyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 36619157

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide (CID 77096309) is 3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide is C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCS(C)(=O)=O)c2)CCN1.
What is the InChIKey of 3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is NOICCFQYQBUZQQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O5S2/c1-12-11-18(8-6-16-12)25(22,23)14-5-3-4-13(10-14)15(19)17-7-9-24(2,20)21/h3-5,10,12,16H,6-9,11H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide?
3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 389.50 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 77096309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).