N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide

C15H16N2O4S2 — CID 51055462

IUPACN-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H16N2O4S2/c1-11-2-3-14(17(18)19)8-15(11)23(20,21)16(13-4-5-13)9-12-6-7-22-10-12/h2-3,6-8,10,13H,4-5,9H2,1H3
InChIKeyOQZKEIRBIFDQIM-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.32
Rot. Bonds6

About N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide

N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 51055462) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID51055462
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC NameN-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H16N2O4S2/c1-11-2-3-14(17(18)19)8-15(11)23(20,21)16(13-4-5-13)9-12-6-7-22-10-12/h2-3,6-8,10,13H,4-5,9H2,1H3
InChIKeyOQZKEIRBIFDQIM-UHFFFAOYSA-N
XLogP3.32
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
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

2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433464
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methyl-4-nitrobenzenesulfonamide
CID 37499780
2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433555
N-cyclopropyl-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methyl-4-nitrobenzenesulfonamide
CID 100612749
2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976314
N,N-dibenzyl-2-methyl-5-nitrobenzenesulfonamide
CID 2900051
3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 61456293
N-[(4-ethylphenyl)methyl]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 7937691
N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978596
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 26943996
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3-nitrobenzenesulfonamide
CID 112820147
N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-nitroaniline
CID 62183100

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 51055462) is N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is OQZKEIRBIFDQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-11-2-3-14(17(18)19)8-15(11)23(20,21)16(13-4-5-13)9-12-6-7-22-10-12/h2-3,6-8,10,13H,4-5,9H2,1H3.
What are the key properties of N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide?
N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 352.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 51055462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).