N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide

C10H5BrClFN2O4S2 — CID 104777143

IUPACN-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)sc1Cl
InChIInChI=1S/C10H5BrClFN2O4S2/c11-6-3-5(1-2-7(6)13)14-21(18,19)9-4-8(15(16)17)10(12)20-9/h1-4,14H
InChIKeyWSFKNQUGOFWWCE-UHFFFAOYSA-N
MW415.65 g/mol
LogP4.01
Rot. Bonds4

About N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide

N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide (PubChem CID 104777143) has the molecular formula C10H5BrClFN2O4S2 and a molecular weight of 415.65 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
PubChem CID104777143
Molecular FormulaC10H5BrClFN2O4S2
Molecular Weight415.65 g/mol
Exact Mass413.85
IUPAC NameN-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)sc1Cl
InChIInChI=1S/C10H5BrClFN2O4S2/c11-6-3-5(1-2-7(6)13)14-21(18,19)9-4-8(15(16)17)10(12)20-9/h1-4,14H
InChIKeyWSFKNQUGOFWWCE-UHFFFAOYSA-N
XLogP4.01
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.65
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 107612754
N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 112729813
5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide
CID 112729858
5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
CID 10246315
N-(2-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80735629
5-chloro-N-(3-chloro-4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
CID 80735145
5-chloro-N-(2,5-dibromophenyl)-4-nitrothiophene-2-sulfonamide
CID 80735740
N-(3-bromo-4-fluorophenyl)-2-nitrobenzenesulfonamide
CID 115663224
5-amino-N-(4-bromo-3-chlorophenyl)-4-nitrothiophene-2-sulfonamide
CID 107616503
N-(6-bromo-2-pyridinyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742323
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
5-chloro-4-nitrothiophene-2-sulfonamide
CID 2735782

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide (CID 104777143) is N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)sc1Cl.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The InChIKey is WSFKNQUGOFWWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClFN2O4S2/c11-6-3-5(1-2-7(6)13)14-21(18,19)9-4-8(15(16)17)10(12)20-9/h1-4,14H.
What are the key properties of N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide has a molecular weight of 415.65 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 104777143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).