4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

C11H15FN4O3S — CID 114812348

IUPAC4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(CNS(=O)(=O)NC2CC2)c(F)c1
InChIInChI=1S/C11H15FN4O3S/c12-10-5-7(11(13)15-17)1-2-8(10)6-14-20(18,19)16-9-3-4-9/h1-2,5,9,14,16-17H,3-4,6H2,(H2,13,15)
InChIKeyBREVTVJDTCMOJV-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.01
Rot. Bonds6

About 4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 114812348) has the molecular formula C11H15FN4O3S and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID114812348
Molecular FormulaC11H15FN4O3S
Molecular Weight302.33 g/mol
Exact Mass302.08
IUPAC Name4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(CNS(=O)(=O)NC2CC2)c(F)c1
InChIInChI=1S/C11H15FN4O3S/c12-10-5-7(11(13)15-17)1-2-8(10)6-14-20(18,19)16-9-3-4-9/h1-2,5,9,14,16-17H,3-4,6H2,(H2,13,15)
InChIKeyBREVTVJDTCMOJV-UHFFFAOYSA-N
XLogP0.01
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.01
H-Bond Donors ≤ 54
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

3-fluoro-N'-hydroxy-4-[(2-methylpropylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816592
3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816593
4-[[(4-chlorophenyl)sulfonylamino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 141280678
4-[(cyclopropylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77026658
4-[(cyclopentylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77030237
3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 107790866
3-fluoro-N'-hydroxy-4-[(thiophen-2-ylsulfonylamino)methyl]benzenecarboximidamide
CID 76995429
3-fluoro-N'-hydroxy-4-[(3-methylsulfonylpropylamino)methyl]benzenecarboximidamide
CID 77031947
3-fluoro-N'-hydroxy-4-[[(1-methylpyrrolidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77032481
N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]oxolane-2-carboxamide
CID 76995430
methyl 2-[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]acetate
CID 86721971
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 114812348) is 4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(CNS(=O)(=O)NC2CC2)c(F)c1.
What is the InChIKey of 4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is BREVTVJDTCMOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O3S/c12-10-5-7(11(13)15-17)1-2-8(10)6-14-20(18,19)16-9-3-4-9/h1-2,5,9,14,16-17H,3-4,6H2,(H2,13,15).
What are the key properties of 4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 302.33 g/mol, XLogP of 0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114812348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).