3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride

C16H25Cl2N3O4S — CID 120894182

IUPAC3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC1CCCC(N)C1.Cl
InChIInChI=1S/C16H24ClN3O4S.ClH/c1-20(2)16(21)13-7-10(17)8-14(15(13)24-3)25(22,23)19-12-6-4-5-11(18)9-12;/h7-8,11-12,19H,4-6,9,18H2,1-3H3;1H
InChIKeyFUPBGMPJJCJDKG-UHFFFAOYSA-N
MW426.37 g/mol
LogP2.02
Rot. Bonds5

About 3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride

3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride (PubChem CID 120894182) has the molecular formula C16H25Cl2N3O4S and a molecular weight of 426.37 g/mol. Its IUPAC name is 3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
PubChem CID120894182
Molecular FormulaC16H25Cl2N3O4S
Molecular Weight426.37 g/mol
Exact Mass425.09
IUPAC Name3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC1CCCC(N)C1.Cl
InChIInChI=1S/C16H24ClN3O4S.ClH/c1-20(2)16(21)13-7-10(17)8-14(15(13)24-3)25(22,23)19-12-6-4-5-11(18)9-12;/h7-8,11-12,19H,4-6,9,18H2,1-3H3;1H
InChIKeyFUPBGMPJJCJDKG-UHFFFAOYSA-N
XLogP2.02
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride (CID 120894182) is 3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride is COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC1CCCC(N)C1.Cl.
What is the InChIKey of 3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is FUPBGMPJJCJDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O4S.ClH/c1-20(2)16(21)13-7-10(17)8-14(15(13)24-3)25(22,23)19-12-6-4-5-11(18)9-12;/h7-8,11-12,19H,4-6,9,18H2,1-3H3;1H.
What are the key properties of 3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride?
3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 426.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120894182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).