N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide

C17H18N2O4S — CID 20629875

IUPACN-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C=O)c2)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(2)24(22,23)19-15-8-6-14(7-9-15)17(21)18-16-5-3-4-13(10-16)11-20/h3-12,19H,1-2H3,(H,18,21)
InChIKeyGCWHZKRKVXPVQG-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.90
Rot. Bonds6

About N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide

N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide (PubChem CID 20629875) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide
PubChem CID20629875
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C=O)c2)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(2)24(22,23)19-15-8-6-14(7-9-15)17(21)18-16-5-3-4-13(10-16)11-20/h3-12,19H,1-2H3,(H,18,21)
InChIKeyGCWHZKRKVXPVQG-UHFFFAOYSA-N
XLogP2.90
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-formylphenyl)-4-methylbenzamide
CID 2339361
3-[3-(propan-2-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 54971187
N-(3-nitrophenyl)-3-(propan-2-ylsulfonylamino)benzamide
CID 13321986
3-chloro-4-fluoro-N-(3-formylphenyl)benzamide
CID 106912747
N-[3-ethoxy-4-(fluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 70792977
4-[(3-formylbenzoyl)amino]benzoic acid
CID 90105755
N-(3-aminophenyl)-4-formylbenzamide
CID 57292924
4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171
tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate
CID 134492042
N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 62999117
4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide
CID 2996698
N-(3-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27256502

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide (CID 20629875) is N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide is CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C=O)c2)cc1.
What is the InChIKey of N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is GCWHZKRKVXPVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(2)24(22,23)19-15-8-6-14(7-9-15)17(21)18-16-5-3-4-13(10-16)11-20/h3-12,19H,1-2H3,(H,18,21).
What are the key properties of N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide?
N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 346.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 20629875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).