N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C23H29N3O3S — CID 22831307

IUPACN-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1N1CCCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O3S/c27-23(19-11-13-20(14-12-19)30(28,29)26-17-7-8-18-26)24-21-9-3-4-10-22(21)25-15-5-1-2-6-16-25/h3-4,9-14H,1-2,5-8,15-18H2,(H,24,27)
InChIKeyHINJDJJAZDZXGO-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.10
Rot. Bonds5

About N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 22831307) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID22831307
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1N1CCCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O3S/c27-23(19-11-13-20(14-12-19)30(28,29)26-17-7-8-18-26)24-21-9-3-4-10-22(21)25-15-5-1-2-6-16-25/h3-4,9-14H,1-2,5-8,15-18H2,(H,24,27)
InChIKeyHINJDJJAZDZXGO-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
CID 38282895
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9442082
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 38282657
2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26520197
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557757
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 33314849

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 22831307) is N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1N1CCCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is HINJDJJAZDZXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c27-23(19-11-13-20(14-12-19)30(28,29)26-17-7-8-18-26)24-21-9-3-4-10-22(21)25-15-5-1-2-6-16-25/h3-4,9-14H,1-2,5-8,15-18H2,(H,24,27).
What are the key properties of N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 427.57 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 22831307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).