4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide

C14H21N3O3S — CID 104850131

IUPAC4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NS(=O)(=O)C2CCCCC2)c(OC)c1
InChIInChI=1S/C14H21N3O3S/c1-20-13-9-10(14(15)16)7-8-12(13)17-21(18,19)11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H3,15,16)
InChIKeyXYQYXFWTKAYDDC-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.05
Rot. Bonds5

About 4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide

4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide (PubChem CID 104850131) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide
PubChem CID104850131
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NS(=O)(=O)C2CCCCC2)c(OC)c1
InChIInChI=1S/C14H21N3O3S/c1-20-13-9-10(14(15)16)7-8-12(13)17-21(18,19)11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H3,15,16)
InChIKeyXYQYXFWTKAYDDC-UHFFFAOYSA-N
XLogP2.05
TPSA105.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-(3-methylbutylsulfonylamino)benzenecarboximidamide
CID 104850112
N-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide
CID 104850100
N-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 104850089
3-amino-4-(cyclohexylsulfonylamino)benzoic acid
CID 63117178
3-methoxy-4-(3-methylsulfonylpropoxy)benzenecarboximidamide
CID 55160801
N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
CID 113460263
2-(cyclohexylsulfonylamino)-3-methoxybenzenecarbothioamide
CID 107468655
3-methoxy-4-methoxysulfanylbenzenecarboximidamide
CID 142082894
4-(1,1-dioxothiolan-3-yl)oxy-3-methoxybenzenecarboximidamide
CID 54914693
4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride
CID 82253246
4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 105361639
4-(cyclopropylmethylsulfonylamino)-3-methoxybenzenecarbothioamide
CID 104849504

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide?
The IUPAC name of 4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide (CID 104850131) is 4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide?
The canonical SMILES for 4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(NS(=O)(=O)C2CCCCC2)c(OC)c1.
What is the InChIKey of 4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide?
The InChIKey is XYQYXFWTKAYDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-20-13-9-10(14(15)16)7-8-12(13)17-21(18,19)11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H3,15,16).
What are the key properties of 4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide?
4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide has a molecular weight of 311.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 104850131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).