(1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate

C16H17N2O4S- — CID 56696846

IUPAC(1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate
SMILESCC(C)Oc1ccc(/C([O-])=N/S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-11(2)22-14-7-3-12(4-8-14)16(19)18-23(20,21)15-9-5-13(17)6-10-15/h3-11H,17H2,1-2H3,(H,18,19)/p-1
InChIKeyFBFBRAFXKGRRHI-UHFFFAOYSA-M
MW333.39 g/mol
LogP1.55
Rot. Bonds5

About (1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate

(1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate (PubChem CID 56696846) has the molecular formula C16H17N2O4S- and a molecular weight of 333.39 g/mol. Its IUPAC name is (1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate.

Molecular Properties

Compound Name(1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate
PubChem CID56696846
Molecular FormulaC16H17N2O4S-
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name(1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate
SMILESCC(C)Oc1ccc(/C([O-])=N/S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-11(2)22-14-7-3-12(4-8-14)16(19)18-23(20,21)15-9-5-13(17)6-10-15/h3-11H,17H2,1-2H3,(H,18,19)/p-1
InChIKeyFBFBRAFXKGRRHI-UHFFFAOYSA-M
XLogP1.55
TPSA104.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
CID 86790597
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol
CID 117037408
sodium N'-(4-aminophenyl)sulfonylcarbamimidate
CID 138399650
(1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate
CID 155621360
4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
CID 16740705
(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone
CID 82265572
2-oxo-2-(4-propan-2-yloxyphenyl)acetamide
CID 116924444
1-(aminodiazenyl)-4-propan-2-yloxybenzene
CID 129114930
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
6-amino-3-(4-propan-2-yloxyphenyl)sulfonyl-1H-benzimidazol-2-one
CID 110724203
2-(4-methoxyphenyl)sulfonylguanidine
CID 10775754

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate?
The IUPAC name of (1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate (CID 56696846) is (1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate.
What is the SMILES notation for (1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate?
The canonical SMILES for (1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate is CC(C)Oc1ccc(/C([O-])=N/S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of (1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate?
The InChIKey is FBFBRAFXKGRRHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18N2O4S/c1-11(2)22-14-7-3-12(4-8-14)16(19)18-23(20,21)15-9-5-13(17)6-10-15/h3-11H,17H2,1-2H3,(H,18,19)/p-1.
What are the key properties of (1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate?
(1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate has a molecular weight of 333.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate is sourced from PubChem (CID 56696846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).