2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide

C25H27N3O7S2 — CID 43882655

IUPAC2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3OC)cc2)cc1
InChIInChI=1S/C25H27N3O7S2/c1-34-20-9-5-19(6-10-20)27-36(30,31)21-11-7-18(8-12-21)26-25(29)23-17-22(13-14-24(23)35-2)37(32,33)28-15-3-4-16-28/h5-14,17,27H,3-4,15-16H2,1-2H3,(H,26,29)
InChIKeyNMULGTCFSNQEHX-UHFFFAOYSA-N
MW545.64 g/mol
LogP3.54
Rot. Bonds9

About 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide

2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 43882655) has the molecular formula C25H27N3O7S2 and a molecular weight of 545.64 g/mol. Its IUPAC name is 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID43882655
Molecular FormulaC25H27N3O7S2
Molecular Weight545.64 g/mol
Exact Mass545.13
IUPAC Name2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3OC)cc2)cc1
InChIInChI=1S/C25H27N3O7S2/c1-34-20-9-5-19(6-10-20)27-36(30,31)21-11-7-18(8-12-21)26-25(29)23-17-22(13-14-24(23)35-2)37(32,33)28-15-3-4-16-28/h5-14,17,27H,3-4,15-16H2,1-2H3,(H,26,29)
InChIKeyNMULGTCFSNQEHX-UHFFFAOYSA-N
XLogP3.54
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.64
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882654
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
5-(azepan-1-ylsulfonyl)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 43882708
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882728
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 19257937
2-methoxy-N-(4-phenylmethoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590899
2-methoxy-5-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43882672
N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28591009

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 43882655) is 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3OC)cc2)cc1.
What is the InChIKey of 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is NMULGTCFSNQEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O7S2/c1-34-20-9-5-19(6-10-20)27-36(30,31)21-11-7-18(8-12-21)26-25(29)23-17-22(13-14-24(23)35-2)37(32,33)28-15-3-4-16-28/h5-14,17,27H,3-4,15-16H2,1-2H3,(H,26,29).
What are the key properties of 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 545.64 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 43882655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).