N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide

C13H11ClN2O4S2 — CID 100552462

IUPACN-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H11ClN2O4S2/c1-2-7-15(22(19,20)13-4-3-8-21-13)12-9-10(16(17)18)5-6-11(12)14/h2-6,8-9H,1,7H2
InChIKeyOLMVQFXDJWUFST-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.69
Rot. Bonds6

About N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide

N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide (PubChem CID 100552462) has the molecular formula C13H11ClN2O4S2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide
PubChem CID100552462
Molecular FormulaC13H11ClN2O4S2
Molecular Weight358.83 g/mol
Exact Mass357.98
IUPAC NameN-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H11ClN2O4S2/c1-2-7-15(22(19,20)13-4-3-8-21-13)12-9-10(16(17)18)5-6-11(12)14/h2-6,8-9H,1,7H2
InChIKeyOLMVQFXDJWUFST-UHFFFAOYSA-N
XLogP3.69
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-methoxy-N-(2-methoxy-5-nitrophenyl)-N-prop-2-enylbenzenesulfonamide
CID 100513696
N-(2-methylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547015
N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100549879
N-(3,4-dichlorophenyl)-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 100528993
3-fluoro-4-methoxy-N-(2-methoxy-5-nitrophenyl)-N-prop-2-enylbenzenesulfonamide
CID 100545305
N-(2-methoxy-5-nitrophenyl)-2-methyl-5-nitro-N-prop-2-enylbenzenesulfonamide
CID 100539771
N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547585
methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548313
N-(2-methoxy-5-nitrophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100518825
N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100548025
methyl 2-chloro-5-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]benzoate
CID 100529138
N-(4-chloro-2-methylphenyl)-3-nitro-N-prop-2-enylbenzenesulfonamide
CID 100522140

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide (CID 100552462) is N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide is C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide?
The InChIKey is OLMVQFXDJWUFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S2/c1-2-7-15(22(19,20)13-4-3-8-21-13)12-9-10(16(17)18)5-6-11(12)14/h2-6,8-9H,1,7H2.
What are the key properties of N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide?
N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide has a molecular weight of 358.83 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide is sourced from PubChem (CID 100552462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).