4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide

C10H13FN4O2S — CID 114813590

IUPAC4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NS(=O)(=O)NC2CC2)c(F)c1
InChIInChI=1S/C10H13FN4O2S/c11-8-5-6(10(12)13)1-4-9(8)15-18(16,17)14-7-2-3-7/h1,4-5,7,14-15H,2-3H2,(H3,12,13)
InChIKeyKNFYCTRZQKLQST-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.52
Rot. Bonds5

About 4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide

4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide (PubChem CID 114813590) has the molecular formula C10H13FN4O2S and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide
PubChem CID114813590
Molecular FormulaC10H13FN4O2S
Molecular Weight272.30 g/mol
Exact Mass272.07
IUPAC Name4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NS(=O)(=O)NC2CC2)c(F)c1
InChIInChI=1S/C10H13FN4O2S/c11-8-5-6(10(12)13)1-4-9(8)15-18(16,17)14-7-2-3-7/h1,4-5,7,14-15H,2-3H2,(H3,12,13)
InChIKeyKNFYCTRZQKLQST-UHFFFAOYSA-N
XLogP0.52
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride
CID 82253246
propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate
CID 114467559
4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide
CID 114808530
3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 107790866
4-chloro-3-(cyclopropylsulfamoylamino)benzenecarbothioamide
CID 114808498
2-(4-carbamimidoyl-2-fluoroanilino)propanoic acid
CID 82253274
3-(4-carbamimidoyl-2-fluoroanilino)propanoic acid;hydrochloride
CID 82253267
4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide
CID 104850131
4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 114812348
3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide
CID 114813290
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-3-fluorobenzenecarboximidamide
CID 79188251
3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66391530

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide (CID 114813590) is 4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(NS(=O)(=O)NC2CC2)c(F)c1.
What is the InChIKey of 4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide?
The InChIKey is KNFYCTRZQKLQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2S/c11-8-5-6(10(12)13)1-4-9(8)15-18(16,17)14-7-2-3-7/h1,4-5,7,14-15H,2-3H2,(H3,12,13).
What are the key properties of 4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide?
4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide has a molecular weight of 272.30 g/mol, XLogP of 0.52, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 114813590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).