N-cyclopropyl-2,5-dimethoxybenzenesulfonamide

C11H15NO4S — CID 737287

IUPACN-cyclopropyl-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H15NO4S/c1-15-9-5-6-10(16-2)11(7-9)17(13,14)12-8-3-4-8/h5-8,12H,3-4H2,1-2H3
InChIKeyKAIAEBCLPIVPES-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.14
Rot. Bonds5

About N-cyclopropyl-2,5-dimethoxybenzenesulfonamide

N-cyclopropyl-2,5-dimethoxybenzenesulfonamide (PubChem CID 737287) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-cyclopropyl-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,5-dimethoxybenzenesulfonamide
PubChem CID737287
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC NameN-cyclopropyl-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H15NO4S/c1-15-9-5-6-10(16-2)11(7-9)17(13,14)12-8-3-4-8/h5-8,12H,3-4H2,1-2H3
InChIKeyKAIAEBCLPIVPES-UHFFFAOYSA-N
XLogP1.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-Dimethoxybenzenesulfonyl)piperazine
CID 2758389
2-(2,5-Dimethoxybenzenesulfonamido)acetic acid
CID 701118
N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
Benzenesulfonamide, 2,5-dimethoxy-
CID 209044
2,5-dimethoxy-N-methylbenzene-1-sulfonamide
CID 768903
2,5-Dimethoxybenzenesulfonyl chloride
CID 137025
N-cyclopropyl-4-ethoxybenzenesulfonamide
CID 848357
2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
2,5-Dimethoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 2868443
N-butyl-4-methoxybenzenesulfonamide
CID 2447451
(2-Methoxy-isopropyl)[(4-methoxyphenyl)sulfonyl]amine
CID 2904487
N-[(3R)-1-cyano-3-pyrrolidinyl]-2,5-bis(methyloxy)benzenesulfonamide
CID 44464926

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,5-dimethoxybenzenesulfonamide (CID 737287) is N-cyclopropyl-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2,5-dimethoxybenzenesulfonamide?
The InChIKey is KAIAEBCLPIVPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-15-9-5-6-10(16-2)11(7-9)17(13,14)12-8-3-4-8/h5-8,12H,3-4H2,1-2H3.
What are the key properties of N-cyclopropyl-2,5-dimethoxybenzenesulfonamide?
N-cyclopropyl-2,5-dimethoxybenzenesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 737287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).