3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide

C13H18ClN3O3S — CID 107810036

IUPAC3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(NS(=O)(=O)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O3S/c14-11-8-9(13(15)16-18)6-7-12(11)17-21(19,20)10-4-2-1-3-5-10/h6-8,10,17-18H,1-5H2,(H2,15,16)
InChIKeyQPSJFMXZKLVOKU-UHFFFAOYSA-N
MW331.83 g/mol
LogP2.51
Rot. Bonds4

About 3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide

3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide (PubChem CID 107810036) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is 3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide
PubChem CID107810036
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC Name3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(NS(=O)(=O)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O3S/c14-11-8-9(13(15)16-18)6-7-12(11)17-21(19,20)10-4-2-1-3-5-10/h6-8,10,17-18H,1-5H2,(H2,15,16)
InChIKeyQPSJFMXZKLVOKU-UHFFFAOYSA-N
XLogP2.51
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 52.51
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 105361639
4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 105361632
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cycloheptanecarboxamide
CID 107809919
3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide
CID 107810012
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
CID 107809931
3-chloro-4-(cyclopropylsulfonylamino)benzoic acid
CID 64552202
3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114003616
4-chloro-2-(cyclopropylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050486
3-amino-4-(cyclohexylsulfonylamino)benzoic acid
CID 63117178
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]azepane-1-carboxamide
CID 107809995
3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide
CID 107810010
4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide
CID 82501901

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide (CID 107810036) is 3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(NS(=O)(=O)C2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is QPSJFMXZKLVOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c14-11-8-9(13(15)16-18)6-7-12(11)17-21(19,20)10-4-2-1-3-5-10/h6-8,10,17-18H,1-5H2,(H2,15,16).
What are the key properties of 3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 331.83 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107810036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).