N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide

C15H15N3O4S — CID 118007792

IUPACN-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1Nc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H15N3O4S/c19-18(20)15-4-2-1-3-14(15)16-11-7-9-13(10-8-11)23(21,22)17-12-5-6-12/h1-4,7-10,12,16-17H,5-6H2
InChIKeyJREHWYSZXDLMOH-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.78
Rot. Bonds6

About N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide

N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide (PubChem CID 118007792) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide
PubChem CID118007792
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1Nc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H15N3O4S/c19-18(20)15-4-2-1-3-14(15)16-11-7-9-13(10-8-11)23(21,22)17-12-5-6-12/h1-4,7-10,12,16-17H,5-6H2
InChIKeyJREHWYSZXDLMOH-UHFFFAOYSA-N
XLogP2.78
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.78
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-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide
CID 26031512
N-(2-nitrophenyl)pyridin-4-amine
CID 2784609
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
N-cyclopropyl-3-nitropyridine-2-sulfonamide
CID 71650427
N-[1-(2-nitrobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470065
2-nitro-N-(thian-4-yl)benzenesulfonamide
CID 70967975
2-nitro-N-(1-oxothian-4-yl)benzenesulfonamide
CID 139050589
N-cyclohexyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82845956
N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide
CID 142660407
3-(methylamino)-4-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 82845360
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
3,4-difluoro-N-(2-nitrophenyl)aniline
CID 59560768

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide (CID 118007792) is N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide is O=[N+]([O-])c1ccccc1Nc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide?
The InChIKey is JREHWYSZXDLMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c19-18(20)15-4-2-1-3-14(15)16-11-7-9-13(10-8-11)23(21,22)17-12-5-6-12/h1-4,7-10,12,16-17H,5-6H2.
What are the key properties of N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide?
N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide has a molecular weight of 333.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-nitroanilino)benzenesulfonamide is sourced from PubChem (CID 118007792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).