2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide

C13H14N4O4S2 — CID 144893339

IUPAC2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(S(N)(=O)=O)cc2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H14N4O4S2/c14-13(15)12-10(2-1-3-11(12)23(17,20)21)8-4-6-9(7-5-8)22(16,18)19/h1-7H,(H3,14,15)(H2,16,18,19)(H2,17,20,21)
InChIKeyRCBHCIWTGHXTGQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP-0.07
Rot. Bonds4

About 2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide

2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide (PubChem CID 144893339) has the molecular formula C13H14N4O4S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide
PubChem CID144893339
Molecular FormulaC13H14N4O4S2
Molecular Weight354.41 g/mol
Exact Mass354.05
IUPAC Name2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(S(N)(=O)=O)cc2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H14N4O4S2/c14-13(15)12-10(2-1-3-11(12)23(17,20)21)8-4-6-9(7-5-8)22(16,18)19/h1-7H,(H3,14,15)(H2,16,18,19)(H2,17,20,21)
InChIKeyRCBHCIWTGHXTGQ-UHFFFAOYSA-N
XLogP-0.07
TPSA170.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide
CID 144893602
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
4-(2-aminophenyl)benzenesulfonamide
CID 18545753
3-(3-carbamimidoylphenyl)-4,4,4-trifluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 54421193
4-[3-hydroxy-2-(2-methoxyphenyl)phenyl]benzenesulfonamide
CID 174432031
3-[[(3R,3aR,6S,6aR)-3-[4-(2-sulfamoylphenyl)phenoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]benzenecarboximidamide
CID 11431907
2-(3-carbamimidoylanilino)-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
CID 10278610
2-(3-carbamimidoylphenyl)-N,5-dimethyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10769921
N'-diazenyl-2-[4-[[(3,3-difluorocyclobutyl)amino]methyl]phenyl]-6-sulfamoylbenzenecarboximidamide
CID 172953180
3-[2-methoxy-4-[4-(2-sulfamoylphenyl)phenyl]pentyl]benzenecarboximidamide
CID 173233435
(2S,3R)-2-[[4-[2-[(Z)-C-aminocarbonohydrazonoyl]-3-sulfamoylphenyl]phenyl]methylamino]-3-hydroxybutanoic acid
CID 144893555
4-(2-nitrophenyl)benzenesulfonamide
CID 102354114

Frequently Asked Questions

What is the IUPAC name of 2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide?
The IUPAC name of 2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide (CID 144893339) is 2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide.
What is the SMILES notation for 2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide?
The canonical SMILES for 2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide is [H]/N=C(\N)c1c(-c2ccc(S(N)(=O)=O)cc2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide?
The InChIKey is RCBHCIWTGHXTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S2/c14-13(15)12-10(2-1-3-11(12)23(17,20)21)8-4-6-9(7-5-8)22(16,18)19/h1-7H,(H3,14,15)(H2,16,18,19)(H2,17,20,21).
What are the key properties of 2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide?
2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide has a molecular weight of 354.41 g/mol, XLogP of -0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide is sourced from PubChem (CID 144893339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).