N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide

C21H20N2O4S — CID 55721517

IUPACN-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20N2O4S/c24-20-12-5-4-7-16(20)13-14-21(25)22-17-8-6-9-18(15-17)23-28(26,27)19-10-2-1-3-11-19/h1-12,15,23-24H,13-14H2,(H,22,25)
InChIKeyWAZZFVBHTVTEPG-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.76
Rot. Bonds7

About N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide

N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide (PubChem CID 55721517) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide
PubChem CID55721517
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20N2O4S/c24-20-12-5-4-7-16(20)13-14-21(25)22-17-8-6-9-18(15-17)23-28(26,27)19-10-2-1-3-11-19/h1-12,15,23-24H,13-14H2,(H,22,25)
InChIKeyWAZZFVBHTVTEPG-UHFFFAOYSA-N
XLogP3.76
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide
CID 55706016
N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide
CID 55840132
3-(2-hydroxyphenyl)-N-(3-piperidin-1-ylphenyl)propanamide
CID 47070895
2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide
CID 23206275
N-[3-(benzenesulfonamido)phenyl]-2-benzhydryloxyacetamide
CID 55721516
3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 1304359
3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 55347189
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide
CID 36925997
1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119282587
3-(2-hydroxyphenyl)-N-(4-iodophenyl)propanamide
CID 29404443
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
5-[[3-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406327

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide (CID 55721517) is N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide is O=C(CCc1ccccc1O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide?
The InChIKey is WAZZFVBHTVTEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c24-20-12-5-4-7-16(20)13-14-21(25)22-17-8-6-9-18(15-17)23-28(26,27)19-10-2-1-3-11-19/h1-12,15,23-24H,13-14H2,(H,22,25).
What are the key properties of N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide?
N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide has a molecular weight of 396.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 55721517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).