N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide

C21H26ClN3O3S — CID 167339748

IUPACN-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C2CCNCC2)cc1Cl
InChIInChI=1S/C21H26ClN3O3S/c1-14-5-3-4-6-18(14)21(26)24-20-8-7-17(13-19(20)22)29(27,28)25-15(2)16-9-11-23-12-10-16/h3-8,13,15-16,23,25H,9-12H2,1-2H3,(H,24,26)/t15-/m1/s1
InChIKeyXUUGVXDEFCXDIY-OAHLLOKOSA-N
MW435.98 g/mol
LogP3.57
Rot. Bonds6

About N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide

N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide (PubChem CID 167339748) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide
PubChem CID167339748
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC NameN-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C2CCNCC2)cc1Cl
InChIInChI=1S/C21H26ClN3O3S/c1-14-5-3-4-6-18(14)21(26)24-20-8-7-17(13-19(20)22)29(27,28)25-15(2)16-9-11-23-12-10-16/h3-8,13,15-16,23,25H,9-12H2,1-2H3,(H,24,26)/t15-/m1/s1
InChIKeyXUUGVXDEFCXDIY-OAHLLOKOSA-N
XLogP3.57
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide (CID 167339748) is N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C2CCNCC2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide?
The InChIKey is XUUGVXDEFCXDIY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-14-5-3-4-6-18(14)21(26)24-20-8-7-17(13-19(20)22)29(27,28)25-15(2)16-9-11-23-12-10-16/h3-8,13,15-16,23,25H,9-12H2,1-2H3,(H,24,26)/t15-/m1/s1.
What are the key properties of N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide?
N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide has a molecular weight of 435.98 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 167339748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).