4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide

C13H20ClN3O5S2 — CID 9180865

IUPAC4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide
SMILESCN(C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN3O5S2/c1-17(2)15-13(18)12(8-9-23(3,19)20)16-24(21,22)11-6-4-10(14)5-7-11/h4-7,12,16H,8-9H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeyANDZDVWZWNUKGN-GFCCVEGCSA-N
MW397.91 g/mol
LogP0.01
Rot. Bonds8

About 4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide

4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide (PubChem CID 9180865) has the molecular formula C13H20ClN3O5S2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide
PubChem CID9180865
Molecular FormulaC13H20ClN3O5S2
Molecular Weight397.91 g/mol
Exact Mass397.05
IUPAC Name4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide
SMILESCN(C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN3O5S2/c1-17(2)15-13(18)12(8-9-23(3,19)20)16-24(21,22)11-6-4-10(14)5-7-11/h4-7,12,16H,8-9H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeyANDZDVWZWNUKGN-GFCCVEGCSA-N
XLogP0.01
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
(2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide
CID 9041162
(2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide
CID 9042138
N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 44609101
3-chloro-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 21236350
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid
CID 59001025
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfanylpropanoic acid
CID 7319023
2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 5055809
3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 18328781
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 18474632

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide (CID 9180865) is 4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide is CN(C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide?
The InChIKey is ANDZDVWZWNUKGN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20ClN3O5S2/c1-17(2)15-13(18)12(8-9-23(3,19)20)16-24(21,22)11-6-4-10(14)5-7-11/h4-7,12,16H,8-9H2,1-3H3,(H,15,18)/t12-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide?
4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide has a molecular weight of 397.91 g/mol, XLogP of 0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-1-(2,2-dimethylhydrazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 9180865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).