4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide

C11H15ClN2O3S — CID 81182283

IUPAC4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide
SMILESCNC(=O)CCCS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-14-10(15)6-3-7-18(16,17)11-8(12)4-2-5-9(11)13/h2,4-5H,3,6-7,13H2,1H3,(H,14,15)
InChIKeyKJQKMKVYMIWJJU-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.22
Rot. Bonds5

About 4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide

4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide (PubChem CID 81182283) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide.

Molecular Properties

Compound Name4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide
PubChem CID81182283
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide
SMILESCNC(=O)CCCS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-14-10(15)6-3-7-18(16,17)11-8(12)4-2-5-9(11)13/h2,4-5H,3,6-7,13H2,1H3,(H,14,15)
InChIKeyKJQKMKVYMIWJJU-UHFFFAOYSA-N
XLogP1.22
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.22
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

4-(2-aminophenyl)sulfonyl-N-methylbutanamide
CID 63889973
4-(2-amino-6-chlorophenyl)sulfanyl-N-methylbutanamide
CID 63891216
4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide
CID 81183828
2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81185379
3-chloro-2-(methoxymethylsulfonyl)aniline
CID 81182200
4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide
CID 81192660
3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline
CID 81186152
3-chloro-2-(2,2,2-trifluoroethylsulfonyl)aniline
CID 81182114
3-chloro-2-[(4-methylphenyl)methylsulfonyl]aniline
CID 81185256
2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
CID 81185661
N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide
CID 71973311
3-(3-aminophenyl)sulfonyl-N-methylpropanamide
CID 81180826

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide?
The IUPAC name of 4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide (CID 81182283) is 4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide.
What is the SMILES notation for 4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide?
The canonical SMILES for 4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide is CNC(=O)CCCS(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide?
The InChIKey is KJQKMKVYMIWJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-14-10(15)6-3-7-18(16,17)11-8(12)4-2-5-9(11)13/h2,4-5H,3,6-7,13H2,1H3,(H,14,15).
What are the key properties of 4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide?
4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide has a molecular weight of 290.77 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide is sourced from PubChem (CID 81182283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).