N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride

C19H25ClN4O3S — CID 119515813

IUPACN-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N)nc2)c1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-23(16-7-3-2-4-8-16)27(25,26)17-9-5-6-14(12-17)19(24)22-15-10-11-18(20)21-13-15;/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,20,21)(H,22,24);1H
InChIKeyXOTFFTWEVXOZNF-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.29
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride

N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119515813) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119515813
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC NameN-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N)nc2)c1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-23(16-7-3-2-4-8-16)27(25,26)17-9-5-6-14(12-17)19(24)22-15-10-11-18(20)21-13-15;/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,20,21)(H,22,24);1H
InChIKeyXOTFFTWEVXOZNF-UHFFFAOYSA-N
XLogP3.29
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119516218
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide
CID 4960073
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4955000
N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide
CID 110614688
N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049764
3-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]benzamide
CID 55528915
N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55857423
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-methylbutanoic acid
CID 9291692
N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 118695528

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride (CID 119515813) is N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride is CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N)nc2)c1.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is XOTFFTWEVXOZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S.ClH/c1-23(16-7-3-2-4-8-16)27(25,26)17-9-5-6-14(12-17)19(24)22-15-10-11-18(20)21-13-15;/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,20,21)(H,22,24);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride?
N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119515813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).