(3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide

C12H14Cl2N2O3S — CID 95776994

IUPAC(3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide
SMILESNC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C12H14Cl2N2O3S/c13-9-4-3-8(5-10(9)14)20(18,19)16-11(6-12(15)17)7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H2,15,17)/t11-/m0/s1
InChIKeyQQIJDQNYMPAMSF-NSHDSACASA-N
MW337.23 g/mol
LogP1.93
Rot. Bonds6

About (3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide

(3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide (PubChem CID 95776994) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide
PubChem CID95776994
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC Name(3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide
SMILESNC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C12H14Cl2N2O3S/c13-9-4-3-8(5-10(9)14)20(18,19)16-11(6-12(15)17)7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H2,15,17)/t11-/m0/s1
InChIKeyQQIJDQNYMPAMSF-NSHDSACASA-N
XLogP1.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 95981916
N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
CID 119986768
(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 131855550
(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935542
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide
CID 65031737
(3R)-3-[(3,4-dichlorophenyl)sulfonylamino]-4-ethoxy-4-oxobutanoic acid
CID 154155939
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylpentanoate
CID 43404937
methyl 2-bromo-5-[(1-cyclopropyl-3-methoxy-3-oxopropyl)sulfamoyl]benzoate
CID 71858267
3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 21078673
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide?
The IUPAC name of (3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide (CID 95776994) is (3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide is NC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of (3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide?
The InChIKey is QQIJDQNYMPAMSF-NSHDSACASA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c13-9-4-3-8(5-10(9)14)20(18,19)16-11(6-12(15)17)7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H2,15,17)/t11-/m0/s1.
What are the key properties of (3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide?
(3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide has a molecular weight of 337.23 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 95776994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).