N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide

C17H20N2O5S — CID 99955697

IUPACN-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide
SMILESCOc1ccccc1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H20N2O5S/c1-24-17-10-3-2-7-15(17)8-5-11-18-25(22,23)13-14-6-4-9-16(12-14)19(20)21/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3
InChIKeySFCQIGHCJIJSHD-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.66
Rot. Bonds9

About N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide

N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide (PubChem CID 99955697) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide
PubChem CID99955697
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide
SMILESCOc1ccccc1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H20N2O5S/c1-24-17-10-3-2-7-15(17)8-5-11-18-25(22,23)13-14-6-4-9-16(12-14)19(20)21/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3
InChIKeySFCQIGHCJIJSHD-UHFFFAOYSA-N
XLogP2.66
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-1-(3-nitrophenyl)methanesulfonamide
CID 92680389
N-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide
CID 92672171
N-[2-(dimethylamino)ethyl]-1-(3-nitrophenyl)methanesulfonamide
CID 76850007
2-methoxy-N-[(3-nitrophenyl)methyl]benzenesulfonamide
CID 86854873
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30209081
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)methanesulfonamide
CID 38013339
1-[2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)thiourea
CID 19649684
1-[(2-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium
CID 4172100
1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133235825
N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 26948552
N-(2,4-dimethylpentan-3-yl)-1-(3-nitrophenyl)methanesulfonamide
CID 92673912
(3S,4R)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(3-nitrophenyl)-1,2-oxazolidine-4-sulfonamide
CID 129421174

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide (CID 99955697) is N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide is COc1ccccc1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide?
The InChIKey is SFCQIGHCJIJSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-24-17-10-3-2-7-15(17)8-5-11-18-25(22,23)13-14-6-4-9-16(12-14)19(20)21/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3.
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide?
N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide has a molecular weight of 364.42 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 99955697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).