4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide

C10H13ClN4O3S — CID 114812354

IUPAC4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1NS(=O)(=O)NC1CC1
InChIInChI=1S/C10H13ClN4O3S/c11-6-1-4-8(10(12)13-16)9(5-6)15-19(17,18)14-7-2-3-7/h1,4-5,7,14-16H,2-3H2,(H2,12,13)
InChIKeyYODNHHUUOIHVNK-UHFFFAOYSA-N
MW304.76 g/mol
LogP0.84
Rot. Bonds5

About 4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide

4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide (PubChem CID 114812354) has the molecular formula C10H13ClN4O3S and a molecular weight of 304.76 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
PubChem CID114812354
Molecular FormulaC10H13ClN4O3S
Molecular Weight304.76 g/mol
Exact Mass304.04
IUPAC Name4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1NS(=O)(=O)NC1CC1
InChIInChI=1S/C10H13ClN4O3S/c11-6-1-4-8(10(12)13-16)9(5-6)15-19(17,18)14-7-2-3-7/h1,4-5,7,14-16H,2-3H2,(H2,12,13)
InChIKeyYODNHHUUOIHVNK-UHFFFAOYSA-N
XLogP0.84
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 50.84
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide (CID 114812354) is 4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Cl)cc1NS(=O)(=O)NC1CC1.
What is the InChIKey of 4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is YODNHHUUOIHVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3S/c11-6-1-4-8(10(12)13-16)9(5-6)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 4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide?
4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 304.76 g/mol, XLogP of 0.84, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114812354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).