5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide

C16H24ClN3O4S — CID 120893997

IUPAC5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCC1CCCNC1
InChIInChI=1S/C16H24ClN3O4S/c1-20(2)16(21)13-7-12(17)8-14(15(13)24-3)25(22,23)19-10-11-5-4-6-18-9-11/h7-8,11,18-19H,4-6,9-10H2,1-3H3
InChIKeyXQUKACHMJSCXGF-UHFFFAOYSA-N
MW389.91 g/mol
LogP1.33
Rot. Bonds6

About 5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide

5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide (PubChem CID 120893997) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide
PubChem CID120893997
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCC1CCCNC1
InChIInChI=1S/C16H24ClN3O4S/c1-20(2)16(21)13-7-12(17)8-14(15(13)24-3)25(22,23)19-10-11-5-4-6-18-9-11/h7-8,11,18-19H,4-6,9-10H2,1-3H3
InChIKeyXQUKACHMJSCXGF-UHFFFAOYSA-N
XLogP1.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid
CID 43510568
methyl 4-chloro-2-(piperidin-3-ylmethylsulfamoyl)benzoate
CID 119968783
methyl 4-chloro-2-(piperidin-3-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119968782
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide
CID 120894029
5-chloro-2-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120893998
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 120894133
3-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894234
3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894173
2-bromo-5-chloro-4-methoxy-N-[[(3S)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124686383
3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894158
4-bromo-2,5-dimethoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120707894
5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
CID 120893957

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide (CID 120893997) is 5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide is COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCC1CCCNC1.
What is the InChIKey of 5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide?
The InChIKey is XQUKACHMJSCXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O4S/c1-20(2)16(21)13-7-12(17)8-14(15(13)24-3)25(22,23)19-10-11-5-4-6-18-9-11/h7-8,11,18-19H,4-6,9-10H2,1-3H3.
What are the key properties of 5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide?
5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide has a molecular weight of 389.91 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 120893997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).