N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

C27H31N3O7S2 — CID 99940107

IUPACN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCCC4)cc3)cc2)c1
InChIInChI=1S/C27H31N3O7S2/c1-36-23-12-15-26(37-2)25(18-23)29-39(34,35)24-13-10-22(11-14-24)28-27(31)21-8-6-20(7-9-21)19-38(32,33)30-16-4-3-5-17-30/h6-15,18,29H,3-5,16-17,19H2,1-2H3,(H,28,31)
InChIKeyRFQLODDSVACLFE-UHFFFAOYSA-N
MW573.69 g/mol
LogP4.07
Rot. Bonds10

About N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 99940107) has the molecular formula C27H31N3O7S2 and a molecular weight of 573.69 g/mol. Its IUPAC name is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID99940107
Molecular FormulaC27H31N3O7S2
Molecular Weight573.69 g/mol
Exact Mass573.16
IUPAC NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCCC4)cc3)cc2)c1
InChIInChI=1S/C27H31N3O7S2/c1-36-23-12-15-26(37-2)25(18-23)29-39(34,35)24-13-10-22(11-14-24)28-27(31)21-8-6-20(7-9-21)19-38(32,33)30-16-4-3-5-17-30/h6-15,18,29H,3-5,16-17,19H2,1-2H3,(H,28,31)
InChIKeyRFQLODDSVACLFE-UHFFFAOYSA-N
XLogP4.07
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.69
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46764677
N-(2-methoxy-5-methylphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763715
N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43904843
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513297
4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 43909304
N-(4-chloro-2,5-dimethoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30395840
N-(2,4-dimethoxyphenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99951275
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915882
4-[[3-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 22304997
4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43915643
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 99940107) is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCCC4)cc3)cc2)c1.
What is the InChIKey of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is RFQLODDSVACLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O7S2/c1-36-23-12-15-26(37-2)25(18-23)29-39(34,35)24-13-10-22(11-14-24)28-27(31)21-8-6-20(7-9-21)19-38(32,33)30-16-4-3-5-17-30/h6-15,18,29H,3-5,16-17,19H2,1-2H3,(H,28,31).
What are the key properties of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 573.69 g/mol, XLogP of 4.07, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 99940107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).