N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide

C20H14Cl4N2O4S — CID 18626055

IUPACN-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H14Cl4N2O4S/c1-30-19-5-2-11(20(27)25-14-3-4-16(23)17(24)10-14)6-18(19)26-31(28,29)15-8-12(21)7-13(22)9-15/h2-10,26H,1H3,(H,25,27)
InChIKeyDXIKELQQRRGQIF-UHFFFAOYSA-N
MW520.22 g/mol
LogP6.36
Rot. Bonds6

About N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide

N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide (PubChem CID 18626055) has the molecular formula C20H14Cl4N2O4S and a molecular weight of 520.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide
PubChem CID18626055
Molecular FormulaC20H14Cl4N2O4S
Molecular Weight520.22 g/mol
Exact Mass517.94
IUPAC NameN-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H14Cl4N2O4S/c1-30-19-5-2-11(20(27)25-14-3-4-16(23)17(24)10-14)6-18(19)26-31(28,29)15-8-12(21)7-13(22)9-15/h2-10,26H,1H3,(H,25,27)
InChIKeyDXIKELQQRRGQIF-UHFFFAOYSA-N
XLogP6.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.22
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 18626096
3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide
CID 18626240
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
CID 35864739
N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide
CID 118878026
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid
CID 11977883
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
(2R)-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]oxolane-2-carboxamide
CID 26853359
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521474
N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 25036035

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide (CID 18626055) is N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide?
The InChIKey is DXIKELQQRRGQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl4N2O4S/c1-30-19-5-2-11(20(27)25-14-3-4-16(23)17(24)10-14)6-18(19)26-31(28,29)15-8-12(21)7-13(22)9-15/h2-10,26H,1H3,(H,25,27).
What are the key properties of N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide?
N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide has a molecular weight of 520.22 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide is sourced from PubChem (CID 18626055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).