N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

C29H29N3O5S2 — CID 43904843

IUPACN-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C29H29N3O5S2/c33-29(24-13-11-22(12-14-24)21-38(34,35)32-19-4-1-5-20-32)30-25-15-17-26(18-16-25)39(36,37)31-28-10-6-8-23-7-2-3-9-27(23)28/h2-3,6-18,31H,1,4-5,19-21H2,(H,30,33)
InChIKeyHNGDUHBWXNURLI-UHFFFAOYSA-N
MW563.70 g/mol
LogP5.21
Rot. Bonds8

About N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 43904843) has the molecular formula C29H29N3O5S2 and a molecular weight of 563.70 g/mol. Its IUPAC name is N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID43904843
Molecular FormulaC29H29N3O5S2
Molecular Weight563.70 g/mol
Exact Mass563.15
IUPAC NameN-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C29H29N3O5S2/c33-29(24-13-11-22(12-14-24)21-38(34,35)32-19-4-1-5-20-32)30-25-15-17-26(18-16-25)39(36,37)31-28-10-6-8-23-7-2-3-9-27(23)28/h2-3,6-18,31H,1,4-5,19-21H2,(H,30,33)
InChIKeyHNGDUHBWXNURLI-UHFFFAOYSA-N
XLogP5.21
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99957022
4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 43909304
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 43880555
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99940107
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 93487102
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43886199
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 28633511
N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763734
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915600
N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46764677

Frequently Asked Questions

What is the IUPAC name of N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 43904843) is N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is HNGDUHBWXNURLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5S2/c33-29(24-13-11-22(12-14-24)21-38(34,35)32-19-4-1-5-20-32)30-25-15-17-26(18-16-25)39(36,37)31-28-10-6-8-23-7-2-3-9-27(23)28/h2-3,6-18,31H,1,4-5,19-21H2,(H,30,33).
What are the key properties of N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 563.70 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 43904843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).