N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide

C29H22N2O3S — CID 59656404

IUPACN-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C29H22N2O3S/c32-29(23-11-5-2-6-12-23)30-27-19-20-28(26-14-8-7-13-25(26)27)35(33,34)31-24-17-15-22(16-18-24)21-9-3-1-4-10-21/h1-20,31H,(H,30,32)
InChIKeyRRBATIXONXJZTP-UHFFFAOYSA-N
MW478.57 g/mol
LogP6.56
Rot. Bonds6

About N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide

N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide (PubChem CID 59656404) has the molecular formula C29H22N2O3S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide
PubChem CID59656404
Molecular FormulaC29H22N2O3S
Molecular Weight478.57 g/mol
Exact Mass478.14
IUPAC NameN-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C29H22N2O3S/c32-29(23-11-5-2-6-12-23)30-27-19-20-28(26-14-8-7-13-25(26)27)35(33,34)31-24-17-15-22(16-18-24)21-9-3-1-4-10-21/h1-20,31H,(H,30,32)
InChIKeyRRBATIXONXJZTP-UHFFFAOYSA-N
XLogP6.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.57
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(pyridin-2-ylsulfamoyl)naphthalen-1-yl]benzamide
CID 59656557
1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea
CID 59656517
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-(4-methoxynaphthalen-1-yl)-4-phenylbenzamide
CID 1190439
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide
CID 163834712
N-[5-(cyclohexylsulfamoyl)naphthalen-1-yl]benzamide
CID 59718017
2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide
CID 2353142
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methoxynaphthalen-1-yl)benzamide
CID 121044893
N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide
CID 91106510

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide?
The IUPAC name of N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide (CID 59656404) is N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide.
What is the SMILES notation for N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide?
The canonical SMILES for N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide?
The InChIKey is RRBATIXONXJZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O3S/c32-29(23-11-5-2-6-12-23)30-27-19-20-28(26-14-8-7-13-25(26)27)35(33,34)31-24-17-15-22(16-18-24)21-9-3-1-4-10-21/h1-20,31H,(H,30,32).
What are the key properties of N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide?
N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide has a molecular weight of 478.57 g/mol, XLogP of 6.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide is sourced from PubChem (CID 59656404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).