N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide

C13H19NO4S — CID 90499355

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCC(C)(O)C2CC2)c1
InChIInChI=1S/C13H19NO4S/c1-13(15,10-6-7-10)9-14-19(16,17)12-5-3-4-11(8-12)18-2/h3-5,8,10,14-15H,6-7,9H2,1-2H3
InChIKeyPHGACZZPHGIPKH-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.13
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide

N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide (PubChem CID 90499355) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide
PubChem CID90499355
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCC(C)(O)C2CC2)c1
InChIInChI=1S/C13H19NO4S/c1-13(15,10-6-7-10)9-14-19(16,17)12-5-3-4-11(8-12)18-2/h3-5,8,10,14-15H,6-7,9H2,1-2H3
InChIKeyPHGACZZPHGIPKH-UHFFFAOYSA-N
XLogP1.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 90499413
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide
CID 94909084
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide
CID 95367533
N-(2-cyclohexyl-2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 56764321
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
3-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 81259552
N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide
CID 90499360
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 91631210

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide (CID 90499355) is N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NCC(C)(O)C2CC2)c1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide?
The InChIKey is PHGACZZPHGIPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-13(15,10-6-7-10)9-14-19(16,17)12-5-3-4-11(8-12)18-2/h3-5,8,10,14-15H,6-7,9H2,1-2H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide?
N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide has a molecular weight of 285.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 90499355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).