4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide

C14H11BrClNO3S — CID 11193260

IUPAC4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClNO3S/c1-9-8-10(15)2-7-13(9)14(18)17-21(19,20)12-5-3-11(16)4-6-12/h2-8H,1H3,(H,17,18)
InChIKeyNRNLMJPRICXHLO-UHFFFAOYSA-N
MW388.67 g/mol
LogP3.53
Rot. Bonds3

About 4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide

4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide (PubChem CID 11193260) has the molecular formula C14H11BrClNO3S and a molecular weight of 388.67 g/mol. Its IUPAC name is 4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide
PubChem CID11193260
Molecular FormulaC14H11BrClNO3S
Molecular Weight388.67 g/mol
Exact Mass386.93
IUPAC Name4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClNO3S/c1-9-8-10(15)2-7-13(9)14(18)17-21(19,20)12-5-3-11(16)4-6-12/h2-8H,1H3,(H,17,18)
InChIKeyNRNLMJPRICXHLO-UHFFFAOYSA-N
XLogP3.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.67
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(phenylsulfonyl)benzamide
CID 2197783
N-[2-chloro-4-bromobenzoyl]-4-chlorophenylsulfonamide
CID 10113563
2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide
CID 11181788
4-chloro-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide
CID 11445097
2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
CID 11763954
N-(4-chlorophenyl)sulfonylbenzamide
CID 286220
3-bromo-N-(4-chlorophenyl)sulfonylbenzamide
CID 11245786
N-(4-chlorobenzenesulfonyl)-2-methylbenzamide
CID 11266872
4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide
CID 11262303
3-bromo-N-[(4-methylphenyl)sulfonyl]benzamide
CID 2198152
4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide
CID 11181426
4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide
CID 11411362

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide (CID 11193260) is 4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide?
The InChIKey is NRNLMJPRICXHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO3S/c1-9-8-10(15)2-7-13(9)14(18)17-21(19,20)12-5-3-11(16)4-6-12/h2-8H,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide?
4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide has a molecular weight of 388.67 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide is sourced from PubChem (CID 11193260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).