4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide

C12H17ClN2O3S — CID 82166331

IUPAC4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(Cl)c2c(c1)C(N)CCO2
InChIInChI=1S/C12H17ClN2O3S/c1-7(2)15-19(16,17)8-5-9-11(14)3-4-18-12(9)10(13)6-8/h5-7,11,15H,3-4,14H2,1-2H3
InChIKeyXMINFEUWYNKFFX-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.81
Rot. Bonds3

About 4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide

4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 82166331) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound Name4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID82166331
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(Cl)c2c(c1)C(N)CCO2
InChIInChI=1S/C12H17ClN2O3S/c1-7(2)15-19(16,17)8-5-9-11(14)3-4-18-12(9)10(13)6-8/h5-7,11,15H,3-4,14H2,1-2H3
InChIKeyXMINFEUWYNKFFX-UHFFFAOYSA-N
XLogP1.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide
CID 82166330
4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 82166378
3-amino-5-chloro-N-(1-cyclopropylethyl)-4-methylbenzenesulfonamide
CID 43533143
methyl (4S)-4-amino-6-chloro-3,4-dihydro-2H-chromene-8-carboxylate
CID 131428420
8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 60970604
(4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 131548792
(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 67303952
3-amino-5-chloro-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 104827361
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
CID 43186511
3-chloro-4-(methylaminomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 106046479

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of 4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide (CID 82166331) is 4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for 4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for 4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide is CC(C)NS(=O)(=O)c1cc(Cl)c2c(c1)C(N)CCO2.
What is the InChIKey of 4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is XMINFEUWYNKFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-7(2)15-19(16,17)8-5-9-11(14)3-4-18-12(9)10(13)6-8/h5-7,11,15H,3-4,14H2,1-2H3.
What are the key properties of 4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide?
4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 82166331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).