N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide

C14H20N2O4S — CID 61222962

IUPACN-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C14H20N2O4S/c1-10-8-13(16(17)18)14(9-11(10)2)21(19,20)15-12-6-4-3-5-7-12/h8-9,12,15H,3-7H2,1-2H3
InChIKeyRDXDOUWMFUYGAV-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.82
Rot. Bonds4

About N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide

N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide (PubChem CID 61222962) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide
PubChem CID61222962
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C14H20N2O4S/c1-10-8-13(16(17)18)14(9-11(10)2)21(19,20)15-12-6-4-3-5-7-12/h8-9,12,15H,3-7H2,1-2H3
InChIKeyRDXDOUWMFUYGAV-UHFFFAOYSA-N
XLogP2.82
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.82
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-cyclopentyl-4-(methylamino)-2-nitrobenzenesulfonamide
CID 62149673
N-cyclopentyl-2-methyl-6-nitrobenzenesulfonamide
CID 47315253
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
N-cyclohexyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82845956
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide
CID 5188456
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide
CID 4115562
4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
CID 7938165
N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80746261
2-chloro-4-methyl-5-nitro-N-[(3R)-oxan-3-yl]benzenesulfonamide
CID 97001248
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide?
The IUPAC name of N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide (CID 61222962) is N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide is Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCCCC2)cc1C.
What is the InChIKey of N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide?
The InChIKey is RDXDOUWMFUYGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-8-13(16(17)18)14(9-11(10)2)21(19,20)15-12-6-4-3-5-7-12/h8-9,12,15H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide?
N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 61222962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).