N-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide

C12H16N2O4S — CID 67610034

IUPACN-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1
InChIInChI=1S/C12H16N2O4S/c1-19(17,18)13(10-5-2-3-6-10)11-7-4-8-12(9-11)14(15)16/h4,7-10H,2-3,5-6H2,1H3
InChIKeyBOBPZSSKJWKQID-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.30
Rot. Bonds4

About N-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide

N-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide (PubChem CID 67610034) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide
PubChem CID67610034
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1
InChIInChI=1S/C12H16N2O4S/c1-19(17,18)13(10-5-2-3-6-10)11-7-4-8-12(9-11)14(15)16/h4,7-10H,2-3,5-6H2,1H3
InChIKeyBOBPZSSKJWKQID-UHFFFAOYSA-N
XLogP2.30
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
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,N-dichloro-3-nitroaniline
CID 119097534
N,1-dimethyl-N-(3-nitrophenyl)pyrrolidin-3-amine
CID 173013327
N-cyclopropyl-N-(2-nitrophenyl)methanesulfonamide
CID 172627024
N-cyclopropyl-3-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79705735
N-(1-methylpiperidin-4-yl)-2-(N-methylsulfonyl-3-nitroanilino)butanamide
CID 132660781
N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43267398
2-[cyclopentyl-[(3-nitrophenyl)methyl]amino]acetic acid
CID 60833489
(3-nitrophenyl)cycloheptane
CID 142001294
N-methyl-3-nitro-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79118614
4-(N-methylsulfonyl-3-nitroanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 133145374
N-methyl-N-(3-nitrophenyl)oxolane-2-carboxamide
CID 75388553
N-cyclopropyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide
CID 110723195

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide?
The IUPAC name of N-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide (CID 67610034) is N-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide is CS(=O)(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide?
The InChIKey is BOBPZSSKJWKQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-19(17,18)13(10-5-2-3-6-10)11-7-4-8-12(9-11)14(15)16/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of N-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide?
N-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide has a molecular weight of 284.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(3-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 67610034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).