5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C18H18BrClN2O4S — CID 2083754

IUPAC5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C18H18BrClN2O4S/c19-12-3-5-13(6-4-12)22-27(24,25)15-7-8-17(20)16(10-15)18(23)21-11-14-2-1-9-26-14/h3-8,10,14,22H,1-2,9,11H2,(H,21,23)/t14-/m0/s1
InChIKeyLBPBHDWVIAYCGC-AWEZNQCLSA-N
MW473.78 g/mol
LogP3.81
Rot. Bonds6

About 5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide

5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 2083754) has the molecular formula C18H18BrClN2O4S and a molecular weight of 473.78 g/mol. Its IUPAC name is 5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID2083754
Molecular FormulaC18H18BrClN2O4S
Molecular Weight473.78 g/mol
Exact Mass471.99
IUPAC Name5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C18H18BrClN2O4S/c19-12-3-5-13(6-4-12)22-27(24,25)15-7-8-17(20)16(10-15)18(23)21-11-14-2-1-9-26-14/h3-8,10,14,22H,1-2,9,11H2,(H,21,23)/t14-/m0/s1
InChIKeyLBPBHDWVIAYCGC-AWEZNQCLSA-N
XLogP3.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.78
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 43005959
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 42992216
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoate
CID 25042472
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-[(4-bromophenyl)sulfamoyl]-4-chlorobenzoate
CID 25040907
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide
CID 92882534
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
2-bromo-4-chloro-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368764
4-bromo-3-(oxan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65370814
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25350812

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 2083754) is 5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl.
What is the InChIKey of 5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is LBPBHDWVIAYCGC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18BrClN2O4S/c19-12-3-5-13(6-4-12)22-27(24,25)15-7-8-17(20)16(10-15)18(23)21-11-14-2-1-9-26-14/h3-8,10,14,22H,1-2,9,11H2,(H,21,23)/t14-/m0/s1.
What are the key properties of 5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 473.78 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 2083754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).