N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide

C10H16N2O3S — CID 60859602

IUPACN-(4-amino-2-methoxyphenyl)propane-2-sulfonamide
SMILESCOc1cc(N)ccc1NS(=O)(=O)C(C)C
InChIInChI=1S/C10H16N2O3S/c1-7(2)16(13,14)12-9-5-4-8(11)6-10(9)15-3/h4-7,12H,11H2,1-3H3
InChIKeyWPSJKUYEOWAYIT-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.43
Rot. Bonds4

About N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide

N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide (PubChem CID 60859602) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)propane-2-sulfonamide
PubChem CID60859602
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-(4-amino-2-methoxyphenyl)propane-2-sulfonamide
SMILESCOc1cc(N)ccc1NS(=O)(=O)C(C)C
InChIInChI=1S/C10H16N2O3S/c1-7(2)16(13,14)12-9-5-4-8(11)6-10(9)15-3/h4-7,12H,11H2,1-3H3
InChIKeyWPSJKUYEOWAYIT-UHFFFAOYSA-N
XLogP1.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide
CID 60859772
3-methoxy-4-(propan-2-ylsulfonylamino)benzenecarbothioamide
CID 104849487
propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate
CID 114461500
N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385
N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
CID 28783407
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593
N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
CID 43123342
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
methyl 2-[(4-amino-2-methylphenyl)sulfamoyl]propanoate
CID 54951259
1-N-ethyl-2-methoxybenzene-1,4-diamine
CID 23391843
N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998731
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide
CID 60860065

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide (CID 60859602) is N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide is COc1cc(N)ccc1NS(=O)(=O)C(C)C.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide?
The InChIKey is WPSJKUYEOWAYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7(2)16(13,14)12-9-5-4-8(11)6-10(9)15-3/h4-7,12H,11H2,1-3H3.
What are the key properties of N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide?
N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide is sourced from PubChem (CID 60859602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).