2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide

C7H10ClN3O3S2 — CID 103100630

IUPAC2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide
SMILESCc1cc(S(=O)(=O)NC/C(N)=N/O)sc1Cl
InChIInChI=1S/C7H10ClN3O3S2/c1-4-2-6(15-7(4)8)16(13,14)10-3-5(9)11-12/h2,10,12H,3H2,1H3,(H2,9,11)
InChIKeyPQUOLYDCWJPQDI-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.73
Rot. Bonds4

About 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide

2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide (PubChem CID 103100630) has the molecular formula C7H10ClN3O3S2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide
PubChem CID103100630
Molecular FormulaC7H10ClN3O3S2
Molecular Weight283.76 g/mol
Exact Mass282.99
IUPAC Name2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide
SMILESCc1cc(S(=O)(=O)NC/C(N)=N/O)sc1Cl
InChIInChI=1S/C7H10ClN3O3S2/c1-4-2-6(15-7(4)8)16(13,14)10-3-5(9)11-12/h2,10,12H,3H2,1H3,(H2,9,11)
InChIKeyPQUOLYDCWJPQDI-UHFFFAOYSA-N
XLogP0.73
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.73
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

3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120711958
5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100201
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
CID 103100218
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774
5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
CID 103270087
3-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 103100639
5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
CID 119046080
N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120712728
(2S)-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215118
5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 120714003
5-chloro-4-methylthiophene-2-sulfonic acid
CID 89170993

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide (CID 103100630) is 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide is Cc1cc(S(=O)(=O)NC/C(N)=N/O)sc1Cl.
What is the InChIKey of 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide?
The InChIKey is PQUOLYDCWJPQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3S2/c1-4-2-6(15-7(4)8)16(13,14)10-3-5(9)11-12/h2,10,12H,3H2,1H3,(H2,9,11).
What are the key properties of 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide?
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide has a molecular weight of 283.76 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 103100630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).