3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide

C16H18ClN3O5S — CID 26003755

IUPAC3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NNC(=O)c1ccco1
InChIInChI=1S/C16H18ClN3O5S/c1-10(2)14(16(22)19-18-15(21)13-7-4-8-25-13)20-26(23,24)12-6-3-5-11(17)9-12/h3-10,14,20H,1-2H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyOUXWBCFAQJCSIN-CQSZACIVSA-N
MW399.86 g/mol
LogP1.70
Rot. Bonds6

About 3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide

3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide (PubChem CID 26003755) has the molecular formula C16H18ClN3O5S and a molecular weight of 399.86 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
PubChem CID26003755
Molecular FormulaC16H18ClN3O5S
Molecular Weight399.86 g/mol
Exact Mass399.07
IUPAC Name3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NNC(=O)c1ccco1
InChIInChI=1S/C16H18ClN3O5S/c1-10(2)14(16(22)19-18-15(21)13-7-4-8-25-13)20-26(23,24)12-6-3-5-11(17)9-12/h3-10,14,20H,1-2H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyOUXWBCFAQJCSIN-CQSZACIVSA-N
XLogP1.70
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 7573393
(E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide
CID 17461555
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide
CID 24538514
N-[(2S)-1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9278474
N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide
CID 8616927
3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 9366029
N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9371831
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 7573425
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 8848980
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
[(1S)-1-cyanoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 7573426

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide (CID 26003755) is 3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide is CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NNC(=O)c1ccco1.
What is the InChIKey of 3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide?
The InChIKey is OUXWBCFAQJCSIN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18ClN3O5S/c1-10(2)14(16(22)19-18-15(21)13-7-4-8-25-13)20-26(23,24)12-6-3-5-11(17)9-12/h3-10,14,20H,1-2H3,(H,18,21)(H,19,22)/t14-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide?
3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide has a molecular weight of 399.86 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 26003755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).