3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C20H23BrN2O5S — CID 2576501

IUPAC3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(Br)c1OC
InChIInChI=1S/C20H23BrN2O5S/c1-3-28-18-13-14(12-17(21)19(18)27-2)20(24)22-15-6-8-16(9-7-15)29(25,26)23-10-4-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyCSUQYTPGTOLOML-UHFFFAOYSA-N
MW483.38 g/mol
LogP3.89
Rot. Bonds7

About 3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 2576501) has the molecular formula C20H23BrN2O5S and a molecular weight of 483.38 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID2576501
Molecular FormulaC20H23BrN2O5S
Molecular Weight483.38 g/mol
Exact Mass482.05
IUPAC Name3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(Br)c1OC
InChIInChI=1S/C20H23BrN2O5S/c1-3-28-18-13-14(12-17(21)19(18)27-2)20(24)22-15-6-8-16(9-7-15)29(25,26)23-10-4-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyCSUQYTPGTOLOML-UHFFFAOYSA-N
XLogP3.89
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17073769
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 1296808
3-bromo-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4959480
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 27009589
3,4,5-trimethoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 5175821
3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
CID 24673293
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
CID 3962822
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311736
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
3-bromo-4-butoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 4955793

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 2576501) is 3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(Br)c1OC.
What is the InChIKey of 3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is CSUQYTPGTOLOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5S/c1-3-28-18-13-14(12-17(21)19(18)27-2)20(24)22-15-6-8-16(9-7-15)29(25,26)23-10-4-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24).
What are the key properties of 3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 483.38 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 2576501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).