N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide

C11H6BrClN2O5S2 — CID 22019499

IUPACN-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H6BrClN2O5S2/c12-9-3-4-10(21-9)22(19,20)14-11(16)7-2-1-6(15(17)18)5-8(7)13/h1-5H,(H,14,16)
InChIKeyMOPQIHXWDYQRRW-UHFFFAOYSA-N
MW425.67 g/mol
LogP3.19
Rot. Bonds4

About N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide

N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide (PubChem CID 22019499) has the molecular formula C11H6BrClN2O5S2 and a molecular weight of 425.67 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide
PubChem CID22019499
Molecular FormulaC11H6BrClN2O5S2
Molecular Weight425.67 g/mol
Exact Mass423.86
IUPAC NameN-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H6BrClN2O5S2/c12-9-3-4-10(21-9)22(19,20)14-11(16)7-2-1-6(15(17)18)5-8(7)13/h1-5H,(H,14,16)
InChIKeyMOPQIHXWDYQRRW-UHFFFAOYSA-N
XLogP3.19
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.67
LogP ≤ 53.19
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'}

Analyze N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide
CID 11239298
5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 2198378
N-(2-amino-2-ethylbutyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119640742
N-[2-(carbamoylamino)ethyl]-2-chloro-4-nitrobenzamide
CID 78993882
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235
potassium 2-chloro-4-nitrobenzoic acid
CID 23673793
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-nitrobenzamide
CID 65312867
(2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-3-hydroxypropanoic acid
CID 61153365
N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide
CID 8752391
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-nitrobenzenesulfonamide
CID 60783868

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide?
The IUPAC name of N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide (CID 22019499) is N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide is O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide?
The InChIKey is MOPQIHXWDYQRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN2O5S2/c12-9-3-4-10(21-9)22(19,20)14-11(16)7-2-1-6(15(17)18)5-8(7)13/h1-5H,(H,14,16).
What are the key properties of N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide?
N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide has a molecular weight of 425.67 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)sulfonyl-2-chloro-4-nitrobenzamide is sourced from PubChem (CID 22019499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).