2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide

C9H14ClN3O3S2 — CID 77038493

IUPAC2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)s1)C(N)=NO
InChIInChI=1S/C9H14ClN3O3S2/c1-5(2)8(9(11)12-14)13-18(15,16)7-4-3-6(10)17-7/h3-5,8,13-14H,1-2H3,(H2,11,12)
InChIKeyXRBADQMHOPYDNA-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.45
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide

2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide (PubChem CID 77038493) has the molecular formula C9H14ClN3O3S2 and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide
PubChem CID77038493
Molecular FormulaC9H14ClN3O3S2
Molecular Weight311.82 g/mol
Exact Mass311.02
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)s1)C(N)=NO
InChIInChI=1S/C9H14ClN3O3S2/c1-5(2)8(9(11)12-14)13-18(15,16)7-4-3-6(10)17-7/h3-5,8,13-14H,1-2H3,(H2,11,12)
InChIKeyXRBADQMHOPYDNA-UHFFFAOYSA-N
XLogP1.45
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide
CID 79987550
2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide
CID 77038656
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 87451510
N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
CID 77038573
N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
(2S)-2-[[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]amino]-3-methylbutanoic acid
CID 119359903
5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide
CID 66930253
(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 42255745
N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 3835268

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide (CID 77038493) is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide is CC(C)C(NS(=O)(=O)c1ccc(Cl)s1)C(N)=NO.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide?
The InChIKey is XRBADQMHOPYDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3S2/c1-5(2)8(9(11)12-14)13-18(15,16)7-4-3-6(10)17-7/h3-5,8,13-14H,1-2H3,(H2,11,12).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide?
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide has a molecular weight of 311.82 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide is sourced from PubChem (CID 77038493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).