N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride

C16H26ClN3O3S — CID 119384031

IUPACN-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCN)cc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-19(14-5-3-2-4-6-14)23(21,22)15-9-7-13(8-10-15)16(20)18-12-11-17;/h7-10,14H,2-6,11-12,17H2,1H3,(H,18,20);1H
InChIKeyTZCCXTKYVGQFMU-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.75
Rot. Bonds6

About N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride

N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119384031) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119384031
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC NameN-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCN)cc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-19(14-5-3-2-4-6-14)23(21,22)15-9-7-13(8-10-15)16(20)18-12-11-17;/h7-10,14H,2-6,11-12,17H2,1H3,(H,18,20);1H
InChIKeyTZCCXTKYVGQFMU-UHFFFAOYSA-N
XLogP1.75
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55805978
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119432186
N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide
CID 46494457
N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
CID 26906866
4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 55565647
N-(1-aminohexan-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119667060
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645778
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55450487
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26458905
4-[cyclohexyl(methyl)sulfamoyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 46485483

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride (CID 119384031) is N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCN)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is TZCCXTKYVGQFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-19(14-5-3-2-4-6-14)23(21,22)15-9-7-13(8-10-15)16(20)18-12-11-17;/h7-10,14H,2-6,11-12,17H2,1H3,(H,18,20);1H.
What are the key properties of N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride?
N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119384031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).