4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide

C9H9ClN2O4S — CID 5188456

IUPAC4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C9H9ClN2O4S/c10-6-1-4-9(8(5-6)12(13)14)17(15,16)11-7-2-3-7/h1,4-5,7,11H,2-3H2
InChIKeyDSYSCGDVEQXZJR-UHFFFAOYSA-N
MW276.70 g/mol
LogP1.69
Rot. Bonds4

About 4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide

4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide (PubChem CID 5188456) has the molecular formula C9H9ClN2O4S and a molecular weight of 276.70 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide
PubChem CID5188456
Molecular FormulaC9H9ClN2O4S
Molecular Weight276.70 g/mol
Exact Mass276.00
IUPAC Name4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C9H9ClN2O4S/c10-6-1-4-9(8(5-6)12(13)14)17(15,16)11-7-2-3-7/h1,4-5,7,11H,2-3H2
InChIKeyDSYSCGDVEQXZJR-UHFFFAOYSA-N
XLogP1.69
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-aminocyclobutyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43597678
4-chloro-2-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686245
N-(2-aminocyclopropyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43596895
N-(2-aminocyclohexyl)-4-chloro-2-nitrobenzenesulfonamide
CID 61037370
4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228765
4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 40597380
4-chloro-N-(2-methylpiperidin-3-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 120726614
N-cyclopentyl-4-(methylamino)-2-nitrobenzenesulfonamide
CID 62149673
5-chloro-N-(2-methylpiperidin-4-yl)-2-nitrobenzenesulfonamide
CID 120585645
N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide
CID 61060866
4-(methylamino)-2-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 62146487
4-chloro-N-[cyclopropyl(phenyl)methyl]-2-nitrobenzenesulfonamide
CID 55565443

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide (CID 5188456) is 4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide?
The InChIKey is DSYSCGDVEQXZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O4S/c10-6-1-4-9(8(5-6)12(13)14)17(15,16)11-7-2-3-7/h1,4-5,7,11H,2-3H2.
What are the key properties of 4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide?
4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide has a molecular weight of 276.70 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 5188456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).