N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride

C15H23Cl2N3O3S — CID 119574204

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC(C)(CN)C1CC1.Cl
InChIInChI=1S/C15H22ClN3O3S.ClH/c1-10(14(20)18-15(2,9-17)11-3-4-11)19-23(21,22)13-7-5-12(16)6-8-13;/h5-8,10-11,19H,3-4,9,17H2,1-2H3,(H,18,20);1H
InChIKeyRNRAHKCTJAQBLJ-UHFFFAOYSA-N
MW396.34 g/mol
LogP1.67
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119574204) has the molecular formula C15H23Cl2N3O3S and a molecular weight of 396.34 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride
PubChem CID119574204
Molecular FormulaC15H23Cl2N3O3S
Molecular Weight396.34 g/mol
Exact Mass395.08
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC(C)(CN)C1CC1.Cl
InChIInChI=1S/C15H22ClN3O3S.ClH/c1-10(14(20)18-15(2,9-17)11-3-4-11)19-23(21,22)13-7-5-12(16)6-8-13;/h5-8,10-11,19H,3-4,9,17H2,1-2H3,(H,18,20);1H
InChIKeyRNRAHKCTJAQBLJ-UHFFFAOYSA-N
XLogP1.67
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide
CID 119574894
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119575571
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 55941880
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 154872445
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119572841
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 26236779
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120602559
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119572402
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119632871
[2-(methylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841754

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride (CID 119574204) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC(C)(CN)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is RNRAHKCTJAQBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S.ClH/c1-10(14(20)18-15(2,9-17)11-3-4-11)19-23(21,22)13-7-5-12(16)6-8-13;/h5-8,10-11,19H,3-4,9,17H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 396.34 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119574204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).