3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide

C10H13BrN4O3S — CID 107790866

IUPAC3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(NS(=O)(=O)NC2CC2)c(Br)c1
InChIInChI=1S/C10H13BrN4O3S/c11-8-5-6(10(12)13-16)1-4-9(8)15-19(17,18)14-7-2-3-7/h1,4-5,7,14-16H,2-3H2,(H2,12,13)
InChIKeyLKDFIAJNHFULNX-UHFFFAOYSA-N
MW349.21 g/mol
LogP0.95
Rot. Bonds5

About 3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide

3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide (PubChem CID 107790866) has the molecular formula C10H13BrN4O3S and a molecular weight of 349.21 g/mol. Its IUPAC name is 3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
PubChem CID107790866
Molecular FormulaC10H13BrN4O3S
Molecular Weight349.21 g/mol
Exact Mass347.99
IUPAC Name3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(NS(=O)(=O)NC2CC2)c(Br)c1
InChIInChI=1S/C10H13BrN4O3S/c11-8-5-6(10(12)13-16)1-4-9(8)15-19(17,18)14-7-2-3-7/h1,4-5,7,14-16H,2-3H2,(H2,12,13)
InChIKeyLKDFIAJNHFULNX-UHFFFAOYSA-N
XLogP0.95
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 50.95
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

4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114812354
4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 114812348
N-[2-bromo-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclopropylacetamide
CID 107790328
4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide
CID 114808530
3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 107790817
4-chloro-3-(cyclopropylsulfamoylamino)benzenecarbothioamide
CID 114808498
4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide
CID 114813590
3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide
CID 107790886
4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 105361639
3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 107810036
3-bromo-4-cyclohexylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 82799684
N-[2-bromo-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide
CID 107790543

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide (CID 107790866) is 3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(NS(=O)(=O)NC2CC2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is LKDFIAJNHFULNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O3S/c11-8-5-6(10(12)13-16)1-4-9(8)15-19(17,18)14-7-2-3-7/h1,4-5,7,14-16H,2-3H2,(H2,12,13).
What are the key properties of 3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide?
3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 349.21 g/mol, XLogP of 0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107790866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).