N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide

C20H23N3O3S — CID 72848817

IUPACN-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESO=C(NC1CC1)c1cccc(S(=O)(=O)N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C20H23N3O3S/c24-20(22-17-9-10-17)16-7-4-8-18(13-16)27(25,26)23-12-11-21-19(14-23)15-5-2-1-3-6-15/h1-8,13,17,19,21H,9-12,14H2,(H,22,24)
InChIKeyKFYWKEVHGMRSLA-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.91
Rot. Bonds5

About N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide

N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 72848817) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide
PubChem CID72848817
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESO=C(NC1CC1)c1cccc(S(=O)(=O)N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C20H23N3O3S/c24-20(22-17-9-10-17)16-7-4-8-18(13-16)27(25,26)23-12-11-21-19(14-23)15-5-2-1-3-6-15/h1-8,13,17,19,21H,9-12,14H2,(H,22,24)
InChIKeyKFYWKEVHGMRSLA-UHFFFAOYSA-N
XLogP1.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide
CID 120767034
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
(3S,4S)-1-[3-(cyclopropylcarbamoyl)phenyl]sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122104117
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
3-pyrrolidin-1-ylsulfonyl-N-[4-[[4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5202113
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4546258
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 124785712
3-[(3R)-3-methylpiperazin-1-yl]sulfonyl-N-(2-methylsulfonylethyl)benzamide
CID 77096309
N-(1-methylpiperidin-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 50947164
ethyl 4-[3-(cyclopropylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 109062305
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide (CID 72848817) is N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide is O=C(NC1CC1)c1cccc(S(=O)(=O)N2CCNC(c3ccccc3)C2)c1.
What is the InChIKey of N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is KFYWKEVHGMRSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-20(22-17-9-10-17)16-7-4-8-18(13-16)27(25,26)23-12-11-21-19(14-23)15-5-2-1-3-6-15/h1-8,13,17,19,21H,9-12,14H2,(H,22,24).
What are the key properties of N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide?
N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 385.49 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-phenylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 72848817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).