2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide

C10H11ClN2O4S — CID 113485393

IUPAC2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1
InChIInChI=1S/C10H11ClN2O4S/c1-10(4-5-10)12-18(16,17)9-6-7(13(14)15)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyNXQWDWZONYWFIW-UHFFFAOYSA-N
MW290.73 g/mol
LogP2.08
Rot. Bonds4

About 2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide

2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide (PubChem CID 113485393) has the molecular formula C10H11ClN2O4S and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide
PubChem CID113485393
Molecular FormulaC10H11ClN2O4S
Molecular Weight290.73 g/mol
Exact Mass290.01
IUPAC Name2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1
InChIInChI=1S/C10H11ClN2O4S/c1-10(4-5-10)12-18(16,17)9-6-7(13(14)15)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyNXQWDWZONYWFIW-UHFFFAOYSA-N
XLogP2.08
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 52.08
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

2-chloro-5-nitro-N-(4-nitrophenyl)benzenesulfonamide
CID 7559501
2-chloro-N-(4-methylphenyl)-5-nitrobenzenesulfonamide
CID 2844050
2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide
CID 4115562
2-chloro-N-(2-methylsulfonylethyl)-5-nitrobenzenesulfonamide
CID 60918252
2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485512
2-chloro-N-(1,1-dioxothiolan-3-yl)-5-nitrobenzenesulfonamide
CID 43389408
2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 2871205
2-chloro-N-(3-methylsulfonylpropyl)-5-nitrobenzenesulfonamide
CID 61045978
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-5-nitrobenzenesulfonamide
CID 64557047
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-nitrobenzenesulfonamide
CID 104982011
2-chloro-N-(5-methylhexyl)-5-nitrobenzenesulfonamide
CID 115325250
N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
CID 43389509

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide (CID 113485393) is 2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide is CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide?
The InChIKey is NXQWDWZONYWFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4S/c1-10(4-5-10)12-18(16,17)9-6-7(13(14)15)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide?
2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide has a molecular weight of 290.73 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 113485393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).