N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide

C10H6BrClN2O4S2 — CID 112729813

IUPACN-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)sc1Cl
InChIInChI=1S/C10H6BrClN2O4S2/c11-6-1-3-7(4-2-6)13-20(17,18)9-5-8(14(15)16)10(12)19-9/h1-5,13H
InChIKeyGSWQWNOYQXALSU-UHFFFAOYSA-N
MW397.66 g/mol
LogP3.87
Rot. Bonds4

About N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide

N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide (PubChem CID 112729813) has the molecular formula C10H6BrClN2O4S2 and a molecular weight of 397.66 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
PubChem CID112729813
Molecular FormulaC10H6BrClN2O4S2
Molecular Weight397.66 g/mol
Exact Mass395.86
IUPAC NameN-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)sc1Cl
InChIInChI=1S/C10H6BrClN2O4S2/c11-6-1-3-7(4-2-6)13-20(17,18)9-5-8(14(15)16)10(12)19-9/h1-5,13H
InChIKeyGSWQWNOYQXALSU-UHFFFAOYSA-N
XLogP3.87
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 53.87
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-chloro-N-(4-hydroxyphenyl)-4-nitrothiophene-2-sulfonamide
CID 10246315
N-(4-bromo-3-chlorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 107612754
5-chloro-N-(2,5-dibromophenyl)-4-nitrothiophene-2-sulfonamide
CID 80735740
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
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
5-amino-N-(4-bromo-3-chlorophenyl)-4-nitrothiophene-2-sulfonamide
CID 107616503
5-chloro-N-(2-iodoethyl)-4-nitrothiophene-2-sulfonamide
CID 106442151
5-chloro-N-(2-chloropyrimidin-4-yl)-4-nitrothiophene-2-sulfonamide
CID 116794914
5-chloro-N-(6-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 80742638

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide (CID 112729813) is N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)sc1Cl.
What is the InChIKey of N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The InChIKey is GSWQWNOYQXALSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O4S2/c11-6-1-3-7(4-2-6)13-20(17,18)9-5-8(14(15)16)10(12)19-9/h1-5,13H.
What are the key properties of N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide?
N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide has a molecular weight of 397.66 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 112729813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).