5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide

C20H24ClN3O4S — CID 22241034

IUPAC5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC1(c2ccccc2)CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C20H24ClN3O4S/c1-28-18-8-7-16(21)13-17(18)19(25)23-14-20(15-5-3-2-4-6-15)9-11-24(12-10-20)29(22,26)27/h2-8,13H,9-12,14H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyMDHHCWJEIIENDN-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.32
Rot. Bonds6

About 5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide

5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide (PubChem CID 22241034) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide
PubChem CID22241034
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC1(c2ccccc2)CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C20H24ClN3O4S/c1-28-18-8-7-16(21)13-17(18)19(25)23-14-20(15-5-3-2-4-6-15)9-11-24(12-10-20)29(22,26)27/h2-8,13H,9-12,14H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyMDHHCWJEIIENDN-UHFFFAOYSA-N
XLogP2.32
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide
CID 23600982
N-[[1-(1-hydroxypropan-2-ylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22241040
N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 58596001
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165285
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 58596000
2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 143258720
2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 23600437
N-[[1-[(1-cyclohexyl-3-hydroxypropan-2-yl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22240612
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide
CID 47038015

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide (CID 22241034) is 5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide is COc1ccc(Cl)cc1C(=O)NCC1(c2ccccc2)CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide?
The InChIKey is MDHHCWJEIIENDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-28-18-8-7-16(21)13-17(18)19(25)23-14-20(15-5-3-2-4-6-15)9-11-24(12-10-20)29(22,26)27/h2-8,13H,9-12,14H2,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of 5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide?
5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide has a molecular weight of 437.95 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 22241034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).