N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide

C22H21ClN2O4S — CID 30684608

IUPACN-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C22H21ClN2O4S/c1-14-7-8-15(2)21(11-14)30(27,28)25-18-6-4-5-16(12-18)22(26)24-19-13-17(23)9-10-20(19)29-3/h4-13,25H,1-3H3,(H,24,26)
InChIKeyLBDZLUVXCQJFGX-UHFFFAOYSA-N
MW444.94 g/mol
LogP5.02
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide

N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide (PubChem CID 30684608) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
PubChem CID30684608
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C22H21ClN2O4S/c1-14-7-8-15(2)21(11-14)30(27,28)25-18-6-4-5-16(12-18)22(26)24-19-13-17(23)9-10-20(19)29-3/h4-13,25H,1-3H3,(H,24,26)
InChIKeyLBDZLUVXCQJFGX-UHFFFAOYSA-N
XLogP5.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.94
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415005
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501
3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 2232377
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41455271
N-(5-chloro-2-hydroxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 56581281
4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 11977548
3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
CID 32686463
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709404
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 30694649
3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 8512318

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide (CID 30684608) is N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide is COc1ccc(Cl)cc1NC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The InChIKey is LBDZLUVXCQJFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-14-7-8-15(2)21(11-14)30(27,28)25-18-6-4-5-16(12-18)22(26)24-19-13-17(23)9-10-20(19)29-3/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide has a molecular weight of 444.94 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 30684608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).