N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide

C19H12Br2ClNO4S — CID 11307304

IUPACN-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)c2ccccc2)c1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C19H12Br2ClNO4S/c20-11-8-14(18(24)15(21)9-11)19(25)23-12-6-7-16(22)17(10-12)28(26,27)13-4-2-1-3-5-13/h1-10,24H,(H,23,25)
InChIKeyKNMLHFQCTNYMPU-UHFFFAOYSA-N
MW545.64 g/mol
LogP5.66
Rot. Bonds4

About N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide

N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide (PubChem CID 11307304) has the molecular formula C19H12Br2ClNO4S and a molecular weight of 545.64 g/mol. Its IUPAC name is N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide
PubChem CID11307304
Molecular FormulaC19H12Br2ClNO4S
Molecular Weight545.64 g/mol
Exact Mass542.85
IUPAC NameN-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)c2ccccc2)c1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C19H12Br2ClNO4S/c20-11-8-14(18(24)15(21)9-11)19(25)23-12-6-7-16(22)17(10-12)28(26,27)13-4-2-1-3-5-13/h1-10,24H,(H,23,25)
InChIKeyKNMLHFQCTNYMPU-UHFFFAOYSA-N
XLogP5.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.64
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-2-hydroxy-N-phenylbenzamide
CID 17404
N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide
CID 11270147
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
2,4-dibromo-N-(3-bromo-4-chlorophenyl)benzamide
CID 107939196
5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 26896379
N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide
CID 162656930
3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide
CID 3555435
2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
CID 5119267
2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide
CID 3435467
2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide
CID 126272189
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide
CID 60514790

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide?
The IUPAC name of N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide (CID 11307304) is N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide.
What is the SMILES notation for N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide?
The canonical SMILES for N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)c2ccccc2)c1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide?
The InChIKey is KNMLHFQCTNYMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br2ClNO4S/c20-11-8-14(18(24)15(21)9-11)19(25)23-12-6-7-16(22)17(10-12)28(26,27)13-4-2-1-3-5-13/h1-10,24H,(H,23,25).
What are the key properties of N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide?
N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide has a molecular weight of 545.64 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide is sourced from PubChem (CID 11307304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).