4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide

C12H19ClN2O3S — CID 106056915

IUPAC4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)CCCCN
InChIInChI=1S/C12H19ClN2O3S/c1-9-7-11(12(18-2)8-10(9)13)15-19(16,17)6-4-3-5-14/h7-8,15H,3-6,14H2,1-2H3
InChIKeyMZIOPAQXVOULSD-UHFFFAOYSA-N
MW306.81 g/mol
LogP2.14
Rot. Bonds7

About 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide

4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide (PubChem CID 106056915) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide
PubChem CID106056915
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)CCCCN
InChIInChI=1S/C12H19ClN2O3S/c1-9-7-11(12(18-2)8-10(9)13)15-19(16,17)6-4-3-5-14/h7-8,15H,3-6,14H2,1-2H3
InChIKeyMZIOPAQXVOULSD-UHFFFAOYSA-N
XLogP2.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
CID 104726640
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106057660
N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
CID 110776836
N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide
CID 112989746
4-amino-N-(3,4,5-trimethoxyphenyl)butane-1-sulfonamide
CID 61456060
5-(aminomethyl)-N-(4-chloro-2-methoxy-5-methylphenyl)furan-2-sulfonamide
CID 106056911
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide
CID 104683435
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 8523503
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 8523518
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816507
N-(5-chloro-2-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059622

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide (CID 106056915) is 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide is COc1cc(Cl)c(C)cc1NS(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide?
The InChIKey is MZIOPAQXVOULSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-9-7-11(12(18-2)8-10(9)13)15-19(16,17)6-4-3-5-14/h7-8,15H,3-6,14H2,1-2H3.
What are the key properties of 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide?
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide has a molecular weight of 306.81 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 106056915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).