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

C10H5BrCl2N2O4S2 — CID 107612754

IUPACN-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)sc1Cl
InChIInChI=1S/C10H5BrCl2N2O4S2/c11-6-2-1-5(3-7(6)12)14-21(18,19)9-4-8(15(16)17)10(13)20-9/h1-4,14H
InChIKeyHJFGENQZDLQPKR-UHFFFAOYSA-N
MW432.10 g/mol
LogP4.53
Rot. Bonds4

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

N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide (PubChem CID 107612754) has the molecular formula C10H5BrCl2N2O4S2 and a molecular weight of 432.10 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
PubChem CID107612754
Molecular FormulaC10H5BrCl2N2O4S2
Molecular Weight432.10 g/mol
Exact Mass429.83
IUPAC NameN-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)sc1Cl
InChIInChI=1S/C10H5BrCl2N2O4S2/c11-6-2-1-5(3-7(6)12)14-21(18,19)9-4-8(15(16)17)10(13)20-9/h1-4,14H
InChIKeyHJFGENQZDLQPKR-UHFFFAOYSA-N
XLogP4.53
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.10
LogP ≤ 54.53
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

5-amino-N-(4-bromo-3-chlorophenyl)-4-nitrothiophene-2-sulfonamide
CID 107616503
N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 112729813
N-(3-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 104777143
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
5-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
CID 10246315
N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 4876033
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
N-(2-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80735629
N-(6-bromo-2-pyridinyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742323
5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide
CID 112729858
N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
CID 18225962

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide (CID 107612754) is N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)sc1Cl.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The InChIKey is HJFGENQZDLQPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2N2O4S2/c11-6-2-1-5(3-7(6)12)14-21(18,19)9-4-8(15(16)17)10(13)20-9/h1-4,14H.
What are the key properties of N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide has a molecular weight of 432.10 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 107612754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).