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

C26H21Cl2N3O5S — CID 68972956

IUPAC[4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(CNC(=O)c2cccc3cc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc23)cc1
InChIInChI=1S/C26H21Cl2N3O5S/c27-19-11-20(28)13-22(12-19)37(35,36)31-21-8-9-23-18(10-21)2-1-3-24(23)25(32)29-14-16-4-6-17(7-5-16)15-30-26(33)34/h1-13,30-31H,14-15H2,(H,29,32)(H,33,34)
InChIKeyUESPDMFXECJPGR-UHFFFAOYSA-N
MW558.44 g/mol
LogP5.64
Rot. Bonds8

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

[4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid (PubChem CID 68972956) has the molecular formula C26H21Cl2N3O5S and a molecular weight of 558.44 g/mol. Its IUPAC name is [4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid
PubChem CID68972956
Molecular FormulaC26H21Cl2N3O5S
Molecular Weight558.44 g/mol
Exact Mass557.06
IUPAC Name[4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(CNC(=O)c2cccc3cc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc23)cc1
InChIInChI=1S/C26H21Cl2N3O5S/c27-19-11-20(28)13-22(12-19)37(35,36)31-21-8-9-23-18(10-21)2-1-3-24(23)25(32)29-14-16-4-6-17(7-5-16)15-30-26(33)34/h1-13,30-31H,14-15H2,(H,29,32)(H,33,34)
InChIKeyUESPDMFXECJPGR-UHFFFAOYSA-N
XLogP5.64
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.44
LogP ≤ 55.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid
CID 70668420
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
4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 99956396
5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide
CID 66908825
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
2-[(3,5-dichlorophenyl)sulfonyl-[5-[[3-(dimethylcarbamoyl)phenyl]methylcarbamoyl]naphthalen-2-yl]amino]acetic acid
CID 66992069
2-chloro-N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772238
N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 60535333

Frequently Asked Questions

What is the IUPAC name of [4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid?
The IUPAC name of [4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid (CID 68972956) is [4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid.
What is the SMILES notation for [4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid?
The canonical SMILES for [4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid is O=C(O)NCc1ccc(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]phenyl]methylcarbamic acid?
The InChIKey is UESPDMFXECJPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2N3O5S/c27-19-11-20(28)13-22(12-19)37(35,36)31-21-8-9-23-18(10-21)2-1-3-24(23)25(32)29-14-16-4-6-17(7-5-16)15-30-26(33)34/h1-13,30-31H,14-15H2,(H,29,32)(H,33,34).
What are the key properties of [4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid?
[4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid has a molecular weight of 558.44 g/mol, XLogP of 5.64, 8 rotatable bonds, 4 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]phenyl]methylcarbamic acid is sourced from PubChem (CID 68972956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).