N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide

C20H17N3O6S — CID 19257356

IUPACN-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H17N3O6S/c1-29-16-10-11-18(19(13-16)23(25)26)21-20(24)14-6-5-9-17(12-14)30(27,28)22-15-7-3-2-4-8-15/h2-13,22H,1H3,(H,21,24)
InChIKeyJTOPQWONSXRZOW-UHFFFAOYSA-N
MW427.44 g/mol
LogP3.66
Rot. Bonds7

About N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide

N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide (PubChem CID 19257356) has the molecular formula C20H17N3O6S and a molecular weight of 427.44 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide
PubChem CID19257356
Molecular FormulaC20H17N3O6S
Molecular Weight427.44 g/mol
Exact Mass427.08
IUPAC NameN-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H17N3O6S/c1-29-16-10-11-18(19(13-16)23(25)26)21-20(24)14-6-5-9-17(12-14)30(27,28)22-15-7-3-2-4-8-15/h2-13,22H,1H3,(H,21,24)
InChIKeyJTOPQWONSXRZOW-UHFFFAOYSA-N
XLogP3.66
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
N-(4-methoxy-2-nitrophenyl)-3-methylsulfanylbenzamide
CID 7565243
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 95254693
N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 31983699
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 19062366
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 94788763
4-[(4-methoxyphenyl)methylamino]-3-nitro-N-phenylbenzenesulfonamide
CID 9282022
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide (CID 19257356) is N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide is COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide?
The InChIKey is JTOPQWONSXRZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O6S/c1-29-16-10-11-18(19(13-16)23(25)26)21-20(24)14-6-5-9-17(12-14)30(27,28)22-15-7-3-2-4-8-15/h2-13,22H,1H3,(H,21,24).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide?
N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide has a molecular weight of 427.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 19257356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).