N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride

C23H31Cl2N3O3S — CID 167339793

IUPACN-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)Nc1cc(C)c(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)cc1Cl.Cl
InChIInChI=1S/C23H30ClN3O3S.ClH/c1-15-7-5-6-8-19(15)23(28)25-21-13-16(2)22(14-20(21)24)31(29,30)26-17(3)18-9-11-27(4)12-10-18;/h5-8,13-14,17-18,26H,9-12H2,1-4H3,(H,25,28);1H/t17-;/m1./s1
InChIKeyIUTSFLACUHNWJN-UNTBIKODSA-N
MW500.49 g/mol
LogP4.64
Rot. Bonds6

About N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride

N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride (PubChem CID 167339793) has the molecular formula C23H31Cl2N3O3S and a molecular weight of 500.49 g/mol. Its IUPAC name is N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride
PubChem CID167339793
Molecular FormulaC23H31Cl2N3O3S
Molecular Weight500.49 g/mol
Exact Mass499.15
IUPAC NameN-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)Nc1cc(C)c(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)cc1Cl.Cl
InChIInChI=1S/C23H30ClN3O3S.ClH/c1-15-7-5-6-8-19(15)23(28)25-21-13-16(2)22(14-20(21)24)31(29,30)26-17(3)18-9-11-27(4)12-10-18;/h5-8,13-14,17-18,26H,9-12H2,1-4H3,(H,25,28);1H/t17-;/m1./s1
InChIKeyIUTSFLACUHNWJN-UNTBIKODSA-N
XLogP4.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide
CID 167339748
N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
CID 167339679
tert-butyl 4-[(1R)-1-[[2-chloro-3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]ethyl]piperidine-1-carboxylate
CID 167340010
N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
CID 167339910
N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride
CID 167339813
tert-butyl 4-[(1R)-1-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]ethyl]piperidine-1-carboxylate
CID 167339900
tert-butyl 4-[(1R)-1-[[4-[(2-methylbenzoyl)amino]-3-propan-2-ylphenyl]sulfonylamino]ethyl]piperidine-1-carboxylate
CID 166926312
N-[4-[1-(2-bicyclo[2.2.2]octanyl)ethylsulfamoyl]-2-methoxy-5-methylphenyl]-2-methylbenzamide
CID 167339979
2-methyl-N-[2-methyl-4-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]sulfamoyl]phenyl]benzamide
CID 167339875
2-methyl-N-[2-methyl-4-[1-(oxan-4-yl)ethylsulfamoyl]phenyl]benzamide
CID 166925879
N-[4-[1-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]ethylsulfamoyl]-2-methylphenyl]-2-methylbenzamide
CID 167340016
N-[4-[[(1R)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]sulfamoyl]-2-methylphenyl]-2-methylbenzamide
CID 167339725

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride (CID 167339793) is N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride is Cc1ccccc1C(=O)Nc1cc(C)c(S(=O)(=O)N[C@H](C)C2CCN(C)CC2)cc1Cl.Cl.
What is the InChIKey of N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride?
The InChIKey is IUTSFLACUHNWJN-UNTBIKODSA-N. The full InChI is InChI=1S/C23H30ClN3O3S.ClH/c1-15-7-5-6-8-19(15)23(28)25-21-13-16(2)22(14-20(21)24)31(29,30)26-17(3)18-9-11-27(4)12-10-18;/h5-8,13-14,17-18,26H,9-12H2,1-4H3,(H,25,28);1H/t17-;/m1./s1.
What are the key properties of N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride?
N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride has a molecular weight of 500.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 167339793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).