4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C19H23N3O5S2 — CID 1091455

IUPAC4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O5S2/c1-21(28(2,24)25)17-9-5-15(6-10-17)19(23)20-16-7-11-18(12-8-16)29(26,27)22-13-3-4-14-22/h5-12H,3-4,13-14H2,1-2H3,(H,20,23)
InChIKeyXDEXCWCSTSBFGI-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.12
Rot. Bonds6

About 4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 1091455) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID1091455
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Name4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O5S2/c1-21(28(2,24)25)17-9-5-15(6-10-17)19(23)20-16-7-11-18(12-8-16)29(26,27)22-13-3-4-14-22/h5-12H,3-4,13-14H2,1-2H3,(H,20,23)
InChIKeyXDEXCWCSTSBFGI-UHFFFAOYSA-N
XLogP2.12
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 1091455) is 4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is XDEXCWCSTSBFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-21(28(2,24)25)17-9-5-15(6-10-17)19(23)20-16-7-11-18(12-8-16)29(26,27)22-13-3-4-14-22/h5-12H,3-4,13-14H2,1-2H3,(H,20,23).
What are the key properties of 4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 437.54 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1091455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).