4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

C20H18ClN3O3S — CID 2238533

IUPAC4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-14-5-8-16(9-6-14)24-28(26,27)19-12-15(7-10-18(19)21)20(25)23-13-17-4-2-3-11-22-17/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyZJKNMGRTICSHDN-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.77
Rot. Bonds6

About 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 2238533) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID2238533
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-14-5-8-16(9-6-14)24-28(26,27)19-12-15(7-10-18(19)21)20(25)23-13-17-4-2-3-11-22-17/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyZJKNMGRTICSHDN-UHFFFAOYSA-N
XLogP3.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Contrast Agent CS-1000
CID 46934289
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
2-Chloro-N-pyridin-3-yl-5-(pyrrolidine-1-sulfonyl)-benzamide
CID 1316771
N-(3-{N-[(4-chlorophenyl)sulfonyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5454652
3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 17617945
3-[(4-methylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide;hydrochloride
CID 25162958
4-{[(4-Chloro-benzenesulfonyl)-pyridin-2-ylmethyl-amino]-methyl}-N-(1-phenyl-cyclopropyl)-benzamide
CID 44237762
4-{[[(4-chlorophenyl)sulfonyl](pyridin-2-ylmethyl)amino]methyl}-N-(cyclopropylmethyl)benzamide
CID 44253168
5-{[3-(Aminosulfonyl)benzoyl]amino}-2-methyl-n-pyridin-3-ylbenzamide
CID 44571913
N-(4-(N-mesitylsulfamoyl)phenyl)picolinamide
CID 45111050
N-(4-chloro-3-(pyridin-2-yl)phenyl)-3-(methylsulfonyl)benzamide
CID 45485696

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (CID 2238533) is 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is ZJKNMGRTICSHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-14-5-8-16(9-6-14)24-28(26,27)19-12-15(7-10-18(19)21)20(25)23-13-17-4-2-3-11-22-17/h2-12,24H,13H2,1H3,(H,23,25).
What are the key properties of 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 415.90 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 2238533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).