N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride

C21H26Cl2FN3O3S — CID 167339896

IUPACN-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)Nc1c(F)cc(S(=O)(=O)N[C@H](C)C2CCNCC2)cc1Cl.Cl
InChIInChI=1S/C21H25ClFN3O3S.ClH/c1-13-5-3-4-6-17(13)21(27)25-20-18(22)11-16(12-19(20)23)30(28,29)26-14(2)15-7-9-24-10-8-15;/h3-6,11-12,14-15,24,26H,7-10H2,1-2H3,(H,25,27);1H/t14-;/m1./s1
InChIKeyQBDPWFNOQVMMOR-PFEQFJNWSA-N
MW490.43 g/mol
LogP4.13
Rot. Bonds6

About N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride

N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride (PubChem CID 167339896) has the molecular formula C21H26Cl2FN3O3S and a molecular weight of 490.43 g/mol. Its IUPAC name is N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride
PubChem CID167339896
Molecular FormulaC21H26Cl2FN3O3S
Molecular Weight490.43 g/mol
Exact Mass489.11
IUPAC NameN-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)Nc1c(F)cc(S(=O)(=O)N[C@H](C)C2CCNCC2)cc1Cl.Cl
InChIInChI=1S/C21H25ClFN3O3S.ClH/c1-13-5-3-4-6-17(13)21(27)25-20-18(22)11-16(12-19(20)23)30(28,29)26-14(2)15-7-9-24-10-8-15;/h3-6,11-12,14-15,24,26H,7-10H2,1-2H3,(H,25,27);1H/t14-;/m1./s1
InChIKeyQBDPWFNOQVMMOR-PFEQFJNWSA-N
XLogP4.13
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride with MolForge

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Related Compounds

N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide
CID 167339748
N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
CID 167339910
N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
CID 167339679
2-methyl-N-[4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]-2-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 167339972
N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride
CID 167339813
4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride
CID 167339835
2-methyl-N-[2-methyl-4-[1-(oxan-4-yl)ethylsulfamoyl]phenyl]benzamide
CID 166925879
methyl 2-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]-2-piperidin-4-ylacetate;hydrochloride
CID 168763736
N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride
CID 167339793
N-[4-[[(1R)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]sulfamoyl]-2-methylphenyl]-2-methylbenzamide
CID 167339725
methyl 2-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]-2-piperidin-4-ylacetate
CID 166925882
N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 167339751

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride (CID 167339896) is N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride is Cc1ccccc1C(=O)Nc1c(F)cc(S(=O)(=O)N[C@H](C)C2CCNCC2)cc1Cl.Cl.
What is the InChIKey of N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride?
The InChIKey is QBDPWFNOQVMMOR-PFEQFJNWSA-N. The full InChI is InChI=1S/C21H25ClFN3O3S.ClH/c1-13-5-3-4-6-17(13)21(27)25-20-18(22)11-16(12-19(20)23)30(28,29)26-14(2)15-7-9-24-10-8-15;/h3-6,11-12,14-15,24,26H,7-10H2,1-2H3,(H,25,27);1H/t14-;/m1./s1.
What are the key properties of N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride?
N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride has a molecular weight of 490.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 167339896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).