5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide

C23H23ClN2O5S — CID 92647091

IUPAC5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-16(15-31-19-11-9-18(30-2)10-12-19)25-23(27)21-14-17(8-13-22(21)24)26-32(28,29)20-6-4-3-5-7-20/h3-14,16,26H,15H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyBKKAQFFSXIIKBQ-INIZCTEOSA-N
MW474.97 g/mol
LogP4.35
Rot. Bonds9

About 5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide

5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide (PubChem CID 92647091) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
PubChem CID92647091
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-16(15-31-19-11-9-18(30-2)10-12-19)25-23(27)21-14-17(8-13-22(21)24)26-32(28,29)20-6-4-3-5-7-20/h3-14,16,26H,15H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyBKKAQFFSXIIKBQ-INIZCTEOSA-N
XLogP4.35
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 93487152
2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92680132
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 43006083
5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide
CID 92673529
4-(benzenesulfonamido)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 93486708
2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 18161222
5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 30390651
4-(benzenesulfonamido)-N-(1-methoxypropan-2-yl)benzamide
CID 6459980
4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100540757
4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46772538
2-chloro-N-[(4-methylphenyl)-phenylmethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43916637
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
The IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide (CID 92647091) is 5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide is COc1ccc(OC[C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1.
What is the InChIKey of 5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
The InChIKey is BKKAQFFSXIIKBQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-16(15-31-19-11-9-18(30-2)10-12-19)25-23(27)21-14-17(8-13-22(21)24)26-32(28,29)20-6-4-3-5-7-20/h3-14,16,26H,15H2,1-2H3,(H,25,27)/t16-/m0/s1.
What are the key properties of 5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide has a molecular weight of 474.97 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 92647091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).