5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide

C11H9ClN2O5S2 — CID 80735923

IUPAC5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NOCc2ccccc2)sc1Cl
InChIInChI=1S/C11H9ClN2O5S2/c12-11-9(14(15)16)6-10(20-11)21(17,18)13-19-7-8-4-2-1-3-5-8/h1-6,13H,7H2
InChIKeyYZSVVPIYZCLOKZ-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.72
Rot. Bonds6

About 5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide

5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide (PubChem CID 80735923) has the molecular formula C11H9ClN2O5S2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide
PubChem CID80735923
Molecular FormulaC11H9ClN2O5S2
Molecular Weight348.79 g/mol
Exact Mass347.96
IUPAC Name5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NOCc2ccccc2)sc1Cl
InChIInChI=1S/C11H9ClN2O5S2/c12-11-9(14(15)16)6-10(20-11)21(17,18)13-19-7-8-4-2-1-3-5-8/h1-6,13H,7H2
InChIKeyYZSVVPIYZCLOKZ-UHFFFAOYSA-N
XLogP2.72
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
CID 83228578
5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide
CID 112729910
5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
CID 80742265
5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
CID 10246315
5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 80742367
5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102697574
5-chloro-N-[(4-methoxyphenyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 146421957
5-chloro-N-(2-iodoethyl)-4-nitrothiophene-2-sulfonamide
CID 106442151
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
5-chloro-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80741832
N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 112729813
N-(2-amino-3-methylbutyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742542

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide (CID 80735923) is 5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)NOCc2ccccc2)sc1Cl.
What is the InChIKey of 5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide?
The InChIKey is YZSVVPIYZCLOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O5S2/c12-11-9(14(15)16)6-10(20-11)21(17,18)13-19-7-8-4-2-1-3-5-8/h1-6,13H,7H2.
What are the key properties of 5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide?
5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide has a molecular weight of 348.79 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitro-N-phenylmethoxythiophene-2-sulfonamide is sourced from PubChem (CID 80735923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).