6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide

C25H18ClN3O3S — CID 172707485

IUPAC6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cccc3cc(NS(=O)(=O)c4ccccc4Cl)ccc23)cc1
InChIInChI=1S/C25H18ClN3O3S/c26-23-6-1-2-7-24(23)33(31,32)29-20-12-13-21-19(14-20)4-3-5-22(21)25(30)28-16-18-10-8-17(15-27)9-11-18/h1-14,29H,16H2,(H,28,30)
InChIKeyDUBFBQWCMNNQDP-UHFFFAOYSA-N
MW475.96 g/mol
LogP5.10
Rot. Bonds6

About 6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide

6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide (PubChem CID 172707485) has the molecular formula C25H18ClN3O3S and a molecular weight of 475.96 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide
PubChem CID172707485
Molecular FormulaC25H18ClN3O3S
Molecular Weight475.96 g/mol
Exact Mass475.08
IUPAC Name6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cccc3cc(NS(=O)(=O)c4ccccc4Cl)ccc23)cc1
InChIInChI=1S/C25H18ClN3O3S/c26-23-6-1-2-7-24(23)33(31,32)29-20-12-13-21-19(14-20)4-3-5-22(21)25(30)28-16-18-10-8-17(15-27)9-11-18/h1-14,29H,16H2,(H,28,30)
InChIKeyDUBFBQWCMNNQDP-UHFFFAOYSA-N
XLogP5.10
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.96
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]phenyl]methylcarbamic acid
CID 68972956
4-[[[6-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-1-carbonyl]amino]methyl]benzoic acid
CID 70668420
2-[[2-[[5-[(4-cyanophenyl)methylcarbamoyl]naphthalen-2-yl]amino]acetyl]amino]propanoic acid
CID 67613877
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 46587432
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
6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide
CID 151240345
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]naphthalene-1-carboxamide
CID 108923199
N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide
CID 155516741
N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 134035426
N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 46546770

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide?
The IUPAC name of 6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide (CID 172707485) is 6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide is N#Cc1ccc(CNC(=O)c2cccc3cc(NS(=O)(=O)c4ccccc4Cl)ccc23)cc1.
What is the InChIKey of 6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide?
The InChIKey is DUBFBQWCMNNQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O3S/c26-23-6-1-2-7-24(23)33(31,32)29-20-12-13-21-19(14-20)4-3-5-22(21)25(30)28-16-18-10-8-17(15-27)9-11-18/h1-14,29H,16H2,(H,28,30).
What are the key properties of 6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide?
6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide has a molecular weight of 475.96 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 172707485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).