4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide

C23H24ClN5O4S — CID 23161173

IUPAC4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide
SMILESCOc1cccc(C2(NS(=O)(=O)NC(=O)c3ccc(Cl)cc3)CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C23H24ClN5O4S/c1-33-20-5-2-4-18(16-20)23(10-14-29(15-11-23)22-25-12-3-13-26-22)28-34(31,32)27-21(30)17-6-8-19(24)9-7-17/h2-9,12-13,16,28H,10-11,14-15H2,1H3,(H,27,30)
InChIKeyGXMWNYUWBYDRKC-UHFFFAOYSA-N
MW502.00 g/mol
LogP2.90
Rot. Bonds7

About 4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide

4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide (PubChem CID 23161173) has the molecular formula C23H24ClN5O4S and a molecular weight of 502.00 g/mol. Its IUPAC name is 4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide
PubChem CID23161173
Molecular FormulaC23H24ClN5O4S
Molecular Weight502.00 g/mol
Exact Mass501.12
IUPAC Name4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide
SMILESCOc1cccc(C2(NS(=O)(=O)NC(=O)c3ccc(Cl)cc3)CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C23H24ClN5O4S/c1-33-20-5-2-4-18(16-20)23(10-14-29(15-11-23)22-25-12-3-13-26-22)28-34(31,32)27-21(30)17-6-8-19(24)9-7-17/h2-9,12-13,16,28H,10-11,14-15H2,1H3,(H,27,30)
InChIKeyGXMWNYUWBYDRKC-UHFFFAOYSA-N
XLogP2.90
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.00
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide
CID 22729931
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
[2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carbonyl]-N-methylsulfamate
CID 46201910
N-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidine-4-carbonyl]sulfamate;hydrochloride
CID 23161186
3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide
CID 86792000
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
4-chloro-N-[(2S)-3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 35807041
3-[(4-chlorobenzoyl)amino]-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid
CID 46285243
N-(3-chloro-2-pyridinyl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 126811063
2-bromo-5-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539971
2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide
CID 129032992
N-[1-(1,3-benzoxazol-2-yl)-4-(3-methoxyphenyl)piperidine-4-carbonyl]sulfamate
CID 23161144

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide (CID 23161173) is 4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide is COc1cccc(C2(NS(=O)(=O)NC(=O)c3ccc(Cl)cc3)CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide?
The InChIKey is GXMWNYUWBYDRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4S/c1-33-20-5-2-4-18(16-20)23(10-14-29(15-11-23)22-25-12-3-13-26-22)28-34(31,32)27-21(30)17-6-8-19(24)9-7-17/h2-9,12-13,16,28H,10-11,14-15H2,1H3,(H,27,30).
What are the key properties of 4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide?
4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide has a molecular weight of 502.00 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoyl]benzamide is sourced from PubChem (CID 23161173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).