4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid

C25H18Cl2N2O5S — CID 70668420

IUPAC4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc3cc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc23)cc1
InChIInChI=1S/C25H18Cl2N2O5S/c26-18-11-19(27)13-21(12-18)35(33,34)29-20-8-9-22-17(10-20)2-1-3-23(22)24(30)28-14-15-4-6-16(7-5-15)25(31)32/h1-13,29H,14H2,(H,28,30)(H,31,32)
InChIKeyWZQOWRFMPCODMZ-UHFFFAOYSA-N
MW529.40 g/mol
LogP5.58
Rot. Bonds7

About 4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid

4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid (PubChem CID 70668420) has the molecular formula C25H18Cl2N2O5S and a molecular weight of 529.40 g/mol. Its IUPAC name is 4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid
PubChem CID70668420
Molecular FormulaC25H18Cl2N2O5S
Molecular Weight529.40 g/mol
Exact Mass528.03
IUPAC Name4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc3cc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc23)cc1
InChIInChI=1S/C25H18Cl2N2O5S/c26-18-11-19(27)13-21(12-18)35(33,34)29-20-8-9-22-17(10-20)2-1-3-23(22)24(30)28-14-15-4-6-16(7-5-15)25(31)32/h1-13,29H,14H2,(H,28,30)(H,31,32)
InChIKeyWZQOWRFMPCODMZ-UHFFFAOYSA-N
XLogP5.58
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.40
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

[4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid
CID 68972956
tert-butyl N-[[4-[[[6-[(3-chloro-5-iodophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methyl]carbamate
CID 70962391
N-[(4-carbamimidoylphenyl)methyl]-6-[(3-chlorophenyl)sulfonylamino]naphthalene-1-carboxamide;hydrochloride
CID 67614478
N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide
CID 59534043
6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide
CID 172707485
2-[[5-[(4-carbamimidoylphenyl)methylcarbamoyl]naphthalen-2-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
CID 68972193
6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide
CID 58496720
4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 99956396
2-[(3,5-dichlorophenyl)sulfonyl-[5-[[3-(dimethylcarbamoyl)phenyl]methylcarbamoyl]naphthalen-2-yl]amino]acetic acid
CID 66992069
5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide
CID 66908825
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 10125717

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid (CID 70668420) is 4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2cccc3cc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc23)cc1.
What is the InChIKey of 4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid?
The InChIKey is WZQOWRFMPCODMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O5S/c26-18-11-19(27)13-21(12-18)35(33,34)29-20-8-9-22-17(10-20)2-1-3-23(22)24(30)28-14-15-4-6-16(7-5-15)25(31)32/h1-13,29H,14H2,(H,28,30)(H,31,32).
What are the key properties of 4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid?
4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid has a molecular weight of 529.40 g/mol, XLogP of 5.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 70668420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).