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

C24H24FN3O6S2 — CID 43882654

IUPACN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H24FN3O6S2/c1-34-23-13-12-21(36(32,33)28-14-2-3-15-28)16-22(23)24(29)26-18-8-10-20(11-9-18)35(30,31)27-19-6-4-17(25)5-7-19/h4-13,16,27H,2-3,14-15H2,1H3,(H,26,29)
InChIKeyCSIQNWFSLNAIEC-UHFFFAOYSA-N
MW533.60 g/mol
LogP3.67
Rot. Bonds8

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

N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 43882654) has the molecular formula C24H24FN3O6S2 and a molecular weight of 533.60 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID43882654
Molecular FormulaC24H24FN3O6S2
Molecular Weight533.60 g/mol
Exact Mass533.11
IUPAC NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H24FN3O6S2/c1-34-23-13-12-21(36(32,33)28-14-2-3-15-28)16-22(23)24(29)26-18-8-10-20(11-9-18)35(30,31)27-19-6-4-17(25)5-7-19/h4-13,16,27H,2-3,14-15H2,1H3,(H,26,29)
InChIKeyCSIQNWFSLNAIEC-UHFFFAOYSA-N
XLogP3.67
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.60
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882728
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882655
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide
CID 31118008
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
2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 19257937
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
5-(azepan-1-ylsulfonyl)-N-[4-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 28591164
5-(azepan-1-ylsulfonyl)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-methoxybenzamide
CID 4858731

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide (CID 43882654) is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is CSIQNWFSLNAIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O6S2/c1-34-23-13-12-21(36(32,33)28-14-2-3-15-28)16-22(23)24(29)26-18-8-10-20(11-9-18)35(30,31)27-19-6-4-17(25)5-7-19/h4-13,16,27H,2-3,14-15H2,1H3,(H,26,29).
What are the key properties of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide?
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 533.60 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 43882654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).