4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide

C14H10BrClN2O3S — CID 68978371

IUPAC4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C=Cc1cccnc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H10BrClN2O3S/c15-11-3-4-12(13(16)8-11)14(19)18-22(20,21)7-5-10-2-1-6-17-9-10/h1-9H,(H,18,19)
InChIKeyNOPCPHRRNWWBBC-UHFFFAOYSA-N
MW401.67 g/mol
LogP3.23
Rot. Bonds4

About 4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide

4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide (PubChem CID 68978371) has the molecular formula C14H10BrClN2O3S and a molecular weight of 401.67 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide
PubChem CID68978371
Molecular FormulaC14H10BrClN2O3S
Molecular Weight401.67 g/mol
Exact Mass399.93
IUPAC Name4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C=Cc1cccnc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H10BrClN2O3S/c15-11-3-4-12(13(16)8-11)14(19)18-22(20,21)7-5-10-2-1-6-17-9-10/h1-9H,(H,18,19)
InChIKeyNOPCPHRRNWWBBC-UHFFFAOYSA-N
XLogP3.23
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.67
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide 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

4-bromo-2-chlorobenzamide;(E)-2-pyridin-3-ylethenesulfonic acid
CID 87641690
4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide
CID 15603087
sodium (4-bromo-2-methylbenzoyl)-[(E)-2-pyridin-3-ylethenyl]sulfonylazanide
CID 23703162
2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide
CID 68979051
2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide
CID 15603189
1-[(4-bromo-2-chlorophenyl)methyl]-3-methyl-N-[(E)-2-phenylethenyl]sulfonylindazole-6-carboxamide
CID 22388328
4-bromo-2-chlorobenzamide;2-(3-chlorophenyl)ethenesulfonic acid
CID 174549658
3-[(E)-2-(3-bromophenyl)ethenyl]pyridine
CID 69086206
N-(4-bromo-2-chlorophenyl)-1-pyridin-3-ylmethanimine
CID 2725269
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride
CID 116814035
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide (CID 68978371) is 4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide is O=C(NS(=O)(=O)C=Cc1cccnc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide?
The InChIKey is NOPCPHRRNWWBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3S/c15-11-3-4-12(13(16)8-11)14(19)18-22(20,21)7-5-10-2-1-6-17-9-10/h1-9H,(H,18,19).
What are the key properties of 4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide?
4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide has a molecular weight of 401.67 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide is sourced from PubChem (CID 68978371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).