5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide

C14H15ClN2O3S — CID 103287763

IUPAC5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H15ClN2O3S/c1-9-7-11(4-5-12(9)15)20-13-6-3-10(16)8-14(13)21(18,19)17-2/h3-8,17H,16H2,1-2H3
InChIKeyNFNHHIPTESBDOL-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.93
Rot. Bonds4

About 5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide

5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide (PubChem CID 103287763) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide
PubChem CID103287763
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H15ClN2O3S/c1-9-7-11(4-5-12(9)15)20-13-6-3-10(16)8-14(13)21(18,19)17-2/h3-8,17H,16H2,1-2H3
InChIKeyNFNHHIPTESBDOL-UHFFFAOYSA-N
XLogP2.93
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.93
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

6-(4-CHLORO-M-TOLYLOXY)-METANILIC ACID, SODIUM SALT
CID 126960064
5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide
CID 103287831
5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide
CID 103287820
5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide
CID 103287840
2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide
CID 80641737
5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 103287848
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide
CID 103287793
4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide
CID 43436524
4-(2,5-dichlorophenoxy)-2-methylaniline
CID 43436377
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide (CID 103287763) is 5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1Oc1ccc(Cl)c(C)c1.
What is the InChIKey of 5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide?
The InChIKey is NFNHHIPTESBDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-9-7-11(4-5-12(9)15)20-13-6-3-10(16)8-14(13)21(18,19)17-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide?
5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).