5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide

C15H23N3O4S — CID 119958906

IUPAC5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1C(N)=O
InChIInChI=1S/C15H23N3O4S/c1-22-13-6-5-11(9-12(13)14(16)19)23(20,21)18-10-15(17)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10,17H2,1H3,(H2,16,19)
InChIKeyCFWZFSBHTBPRRB-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.73
Rot. Bonds6

About 5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide

5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide (PubChem CID 119958906) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide
PubChem CID119958906
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1C(N)=O
InChIInChI=1S/C15H23N3O4S/c1-22-13-6-5-11(9-12(13)14(16)19)23(20,21)18-10-15(17)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10,17H2,1H3,(H2,16,19)
InChIKeyCFWZFSBHTBPRRB-UHFFFAOYSA-N
XLogP0.73
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide
CID 146024591
2-methoxy-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzamide;hydrochloride
CID 120720413
5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide
CID 146022773
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]-2-chlorobenzoate
CID 119043375
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride
CID 119958825
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride
CID 120666289
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
CID 66006744
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119974021

Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide?
The IUPAC name of 5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide (CID 119958906) is 5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide?
The canonical SMILES for 5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1C(N)=O.
What is the InChIKey of 5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide?
The InChIKey is CFWZFSBHTBPRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-22-13-6-5-11(9-12(13)14(16)19)23(20,21)18-10-15(17)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10,17H2,1H3,(H2,16,19).
What are the key properties of 5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide?
5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide has a molecular weight of 341.43 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 119958906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).