N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide

C16H15N3O5S — CID 40688024

IUPACN-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O5S/c20-16(17-12-8-9-12)11-4-3-5-13(10-11)18-25(23,24)15-7-2-1-6-14(15)19(21)22/h1-7,10,12,18H,8-9H2,(H,17,20)
InChIKeyQMXBMISUCDIISB-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.29
Rot. Bonds6

About N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide

N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide (PubChem CID 40688024) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide
PubChem CID40688024
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC NameN-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O5S/c20-16(17-12-8-9-12)11-4-3-5-13(10-11)18-25(23,24)15-7-2-1-6-14(15)19(21)22/h1-7,10,12,18H,8-9H2,(H,17,20)
InChIKeyQMXBMISUCDIISB-UHFFFAOYSA-N
XLogP2.29
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-bromo-5-nitrophenyl)sulfonylamino]-N-cyclopropylbenzamide
CID 71871638
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide
CID 26489644
N-cyclopropyl-3-[(4-cyclopropylphenyl)sulfonylamino]benzamide
CID 167833629
1-[3-[(2-nitrophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 31075653
3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 22109123
N-(6-acetylnaphthalen-2-yl)-2-nitrobenzenesulfonamide
CID 53468341
cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120674975
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-[(2-nitrophenyl)sulfonylamino]benzamide
CID 45019416
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 30694649
N-(3-bromo-4-fluorophenyl)-2-nitrobenzenesulfonamide
CID 115663224

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide (CID 40688024) is N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide is O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is QMXBMISUCDIISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c20-16(17-12-8-9-12)11-4-3-5-13(10-11)18-25(23,24)15-7-2-1-6-14(15)19(21)22/h1-7,10,12,18H,8-9H2,(H,17,20).
What are the key properties of N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide?
N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 361.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 40688024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).