N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

C22H27N3O3S — CID 55549426

IUPACN-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)N(Cc3ccccc3)C3CC3)c2)CC1
InChIInChI=1S/C22H27N3O3S/c1-23-12-14-24(15-13-23)29(27,28)21-9-5-8-19(16-21)22(26)25(20-10-11-20)17-18-6-3-2-4-7-18/h2-9,16,20H,10-15,17H2,1H3
InChIKeyIXJSAHBDKOLZMI-UHFFFAOYSA-N
MW413.54 g/mol
LogP2.43
Rot. Bonds6

About N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 55549426) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID55549426
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)N(Cc3ccccc3)C3CC3)c2)CC1
InChIInChI=1S/C22H27N3O3S/c1-23-12-14-24(15-13-23)29(27,28)21-9-5-8-19(16-21)22(26)25(20-10-11-20)17-18-6-3-2-4-7-18/h2-9,16,20H,10-15,17H2,1H3
InChIKeyIXJSAHBDKOLZMI-UHFFFAOYSA-N
XLogP2.43
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55412191
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CID 55608837
N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
CID 50875377
N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 39230100
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
CID 19257293
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38253124
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-[[benzyl(methyl)amino]methyl]benzamide
CID 60616235
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
methyl 3-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-benzylamino]propanoate
CID 55514492
N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 24980279
N-benzyl-3-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 26731438

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 55549426) is N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is CN1CCN(S(=O)(=O)c2cccc(C(=O)N(Cc3ccccc3)C3CC3)c2)CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is IXJSAHBDKOLZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-23-12-14-24(15-13-23)29(27,28)21-9-5-8-19(16-21)22(26)25(20-10-11-20)17-18-6-3-2-4-7-18/h2-9,16,20H,10-15,17H2,1H3.
What are the key properties of N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 413.54 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55549426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).