5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

C11H16ClFN2O3S — CID 55137720

IUPAC5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O3S/c1-7(6-18-3)15(2)19(16,17)11-5-10(14)9(13)4-8(11)12/h4-5,7H,6,14H2,1-3H3
InChIKeyDWBCWINXTTXUSG-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.72
Rot. Bonds5

About 5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 55137720) has the molecular formula C11H16ClFN2O3S and a molecular weight of 310.78 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID55137720
Molecular FormulaC11H16ClFN2O3S
Molecular Weight310.78 g/mol
Exact Mass310.06
IUPAC Name5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O3S/c1-7(6-18-3)15(2)19(16,17)11-5-10(14)9(13)4-8(11)12/h4-5,7H,6,14H2,1-3H3
InChIKeyDWBCWINXTTXUSG-UHFFFAOYSA-N
XLogP1.72
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-3-(morpholine-4-sulfonyl)-phenylamine
CID 3158001
5-amino-2-chloro-N,N-dimethylbenzene-1-sulfonamide
CID 3613938
5-amino-2-chloro-N,N-diethylbenzene-1-sulfonamide
CID 3779308
N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 13045544
5-Amino-2-chloro-4-fluorobenzene-1-sulfonamide
CID 13045545
N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 70609316
2-chloro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 24420710
3-Chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline
CID 43256882
5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 43256953
3-Chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-fluoroaniline
CID 43257068
3-Chloro-4-fluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43257110
5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257154

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (CID 55137720) is 5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is COCC(C)N(C)S(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is DWBCWINXTTXUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O3S/c1-7(6-18-3)15(2)19(16,17)11-5-10(14)9(13)4-8(11)12/h4-5,7H,6,14H2,1-3H3.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 310.78 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 55137720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).