N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide

C17H20ClN3O3S — CID 142036795

IUPACN-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2N)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-17(2,11-18)16(22)20-12-7-9-13(10-8-12)21-25(23,24)15-6-4-3-5-14(15)19/h3-10,21H,11,19H2,1-2H3,(H,20,22)
InChIKeyZWFXLJMIPJFZAP-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.27
Rot. Bonds6

About N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide

N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide (PubChem CID 142036795) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide
PubChem CID142036795
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2N)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-17(2,11-18)16(22)20-12-7-9-13(10-8-12)21-25(23,24)15-6-4-3-5-14(15)19/h3-10,21H,11,19H2,1-2H3,(H,20,22)
InChIKeyZWFXLJMIPJFZAP-UHFFFAOYSA-N
XLogP3.27
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]naphthalene-1-carboxylic acid
CID 11155424
N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide
CID 142036869
methyl 4-[(2-aminophenyl)sulfonylamino]benzoate
CID 28590095
2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid
CID 106523222
2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride
CID 132988288
3-chloro-2,2-dimethyl-N-[4-(propanoylamino)phenyl]propanamide
CID 63680174
3-chloro-2,2-dimethyl-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 63680187
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568
3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 10141380
3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide
CID 63680701
ethyl 4-[(2,3-diaminophenyl)sulfonylamino]benzoate
CID 90419987
3-chloro-2,2-dimethyl-N-[4-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060691

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide (CID 142036795) is N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2N)cc1.
What is the InChIKey of N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide?
The InChIKey is ZWFXLJMIPJFZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-17(2,11-18)16(22)20-12-7-9-13(10-8-12)21-25(23,24)15-6-4-3-5-14(15)19/h3-10,21H,11,19H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide?
N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide has a molecular weight of 381.89 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 142036795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).