N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C23H29N3O3S — CID 9033710

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1
InChIInChI=1S/C23H29N3O3S/c1-18-12-16-25(17-13-18)21-8-6-20(7-9-21)24-23(27)19-4-10-22(11-5-19)30(28,29)26-14-2-3-15-26/h4-11,18H,2-3,12-17H2,1H3,(H,24,27)
InChIKeySYUZUHWWKXEGOV-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.96
Rot. Bonds5

About N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9033710) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9033710
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1
InChIInChI=1S/C23H29N3O3S/c1-18-12-16-25(17-13-18)21-8-6-20(7-9-21)24-23(27)19-4-10-22(11-5-19)30(28,29)26-14-2-3-15-26/h4-11,18H,2-3,12-17H2,1H3,(H,24,27)
InChIKeySYUZUHWWKXEGOV-UHFFFAOYSA-N
XLogP3.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55389012
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387444
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 41170655
N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385825
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
3-(azepan-1-ylsulfonyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559304

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 9033710) is N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is CC1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is SYUZUHWWKXEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-18-12-16-25(17-13-18)21-8-6-20(7-9-21)24-23(27)19-4-10-22(11-5-19)30(28,29)26-14-2-3-15-26/h4-11,18H,2-3,12-17H2,1H3,(H,24,27).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 427.57 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9033710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).