4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide

C20H18ClN3O3S — CID 2226277

IUPAC4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2Cl)c1C
InChIInChI=1S/C20H18ClN3O3S/c1-13-5-3-7-18(14(13)2)24-28(26,27)19-11-15(8-9-17(19)21)20(25)23-16-6-4-10-22-12-16/h3-12,24H,1-2H3,(H,23,25)
InChIKeyLDVQRGHKUXFGHM-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.40
Rot. Bonds5

About 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide

4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide (PubChem CID 2226277) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide
PubChem CID2226277
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2Cl)c1C
InChIInChI=1S/C20H18ClN3O3S/c1-13-5-3-7-18(14(13)2)24-28(26,27)19-11-15(8-9-17(19)21)20(25)23-16-6-4-10-22-12-16/h3-12,24H,1-2H3,(H,23,25)
InChIKeyLDVQRGHKUXFGHM-UHFFFAOYSA-N
XLogP4.40
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 99942017
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 126416977
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 126414644
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4213074
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 5035675
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3692029
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901
N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 25247329
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 92685251
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 99954512

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide (CID 2226277) is 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide is Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2Cl)c1C.
What is the InChIKey of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide?
The InChIKey is LDVQRGHKUXFGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-13-5-3-7-18(14(13)2)24-28(26,27)19-11-15(8-9-17(19)21)20(25)23-16-6-4-10-22-12-16/h3-12,24H,1-2H3,(H,23,25).
What are the key properties of 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide?
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide has a molecular weight of 415.90 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 2226277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).