N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

C16H15N3O5S — CID 35540750

IUPACN-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C1CC1
InChIInChI=1S/C16H15N3O5S/c20-16(11-4-5-11)17-12-2-1-3-13(10-12)18-25(23,24)15-8-6-14(7-9-15)19(21)22/h1-3,6-11,18H,4-5H2,(H,17,20)
InChIKeyBGYPIBFFSXTMOB-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.74
Rot. Bonds6

About N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (PubChem CID 35540750) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
PubChem CID35540750
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC NameN-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C1CC1
InChIInChI=1S/C16H15N3O5S/c20-16(11-4-5-11)17-12-2-1-3-13(10-12)18-25(23,24)15-8-6-14(7-9-15)19(21)22/h1-3,6-11,18H,4-5H2,(H,17,20)
InChIKeyBGYPIBFFSXTMOB-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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'}

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Related Compounds

N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540844
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
N-[3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]cyclopropanecarboxamide
CID 35541261
N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541087
3-[(4-nitrophenyl)sulfonylamino]benzoic acid
CID 7938678
N-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541103
4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106119
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide
CID 24629243
(1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51949039
N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide
CID 60729878

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (CID 35540750) is N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C1CC1.
What is the InChIKey of N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is BGYPIBFFSXTMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c20-16(11-4-5-11)17-12-2-1-3-13(10-12)18-25(23,24)15-8-6-14(7-9-15)19(21)22/h1-3,6-11,18H,4-5H2,(H,17,20).
What are the key properties of N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 361.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 35540750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).